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Benzothiadiazoles

Organic heterocyclic compounds that consist of a benzene fused with a thiadiazole ring; thiadiazoles have a five-membered ring that contains two nitrogen atoms, one sulfur atoms, and two double bonds.
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1

4,7-Dibromo-5,6-di-n-octyloxy-2,1,3-benzothiadiazole 98.0+%, TCI America™

CAS: 1192352-08-1 Molecular Formula: C22H34Br2N2O2S Molecular Weight (g/mol): 550.394 MDL Number: MFCD19940667 InChI Key: VGCVJZVDAAWTFC-UHFFFAOYSA-N PubChem CID: 67329181 IUPAC Name: 4,7-dibromo-5,6-dioctoxy-2,1,3-benzothiadiazole SMILES: CCCCCCCCOC1=C(C2=NSN=C2C(=C1OCCCCCCCC)Br)Br

PubChem CID 67329181
CAS 1192352-08-1
Molecular Weight (g/mol) 550.394
MDL Number MFCD19940667
SMILES CCCCCCCCOC1=C(C2=NSN=C2C(=C1OCCCCCCCC)Br)Br
IUPAC Name 4,7-dibromo-5,6-dioctoxy-2,1,3-benzothiadiazole
InChI Key VGCVJZVDAAWTFC-UHFFFAOYSA-N
Molecular Formula C22H34Br2N2O2S
2

5,6-Difluoro-2,1,3-benzothiadiazole 98.0+%, TCI America™

CAS: 1293389-28-2 Molecular Formula: C6H2F2N2S Molecular Weight (g/mol): 172.15 MDL Number: MFCD28100486 InChI Key: ZKBRJEYUJNJNCO-UHFFFAOYSA-N PubChem CID: 66554157 IUPAC Name: 5,6-difluoro-2,1,3-benzothiadiazole SMILES: FC1=CC2=NSN=C2C=C1F

PubChem CID 66554157
CAS 1293389-28-2
Molecular Weight (g/mol) 172.15
MDL Number MFCD28100486
SMILES FC1=CC2=NSN=C2C=C1F
IUPAC Name 5,6-difluoro-2,1,3-benzothiadiazole
InChI Key ZKBRJEYUJNJNCO-UHFFFAOYSA-N
Molecular Formula C6H2F2N2S
3

5,6-Bis(n-octyloxy)-2,1,3-benzothiadiazole 98.0+%, TCI America™

CAS: 1254353-37-1 Molecular Formula: C22H36N2O2S Molecular Weight (g/mol): 392.60 MDL Number: MFCD19440987 InChI Key: GNYCNFWCQGDJRG-UHFFFAOYSA-N PubChem CID: 71614382 IUPAC Name: 5,6-bis(octyloxy)-2,1,3-benzothiadiazole SMILES: CCCCCCCCOC1=CC2=NSN=C2C=C1OCCCCCCCC

PubChem CID 71614382
CAS 1254353-37-1
Molecular Weight (g/mol) 392.60
MDL Number MFCD19440987
SMILES CCCCCCCCOC1=CC2=NSN=C2C=C1OCCCCCCCC
IUPAC Name 5,6-bis(octyloxy)-2,1,3-benzothiadiazole
InChI Key GNYCNFWCQGDJRG-UHFFFAOYSA-N
Molecular Formula C22H36N2O2S
4

4,7-Bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,1,3-benzothiadiazole 95.0+%, TCI America™

CAS: 934365-16-9 Molecular Formula: C18H26B2N2O4S Molecular Weight (g/mol): 388.10 MDL Number: MFCD11656086 InChI Key: DHWADSHFLSDMBJ-UHFFFAOYSA-N Synonym: 2,1,3-Benzothiadiazole-4,7-diboronic Acid Bis(pinacol) Ester PubChem CID: 46739758 IUPAC Name: 4,7-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,1,3-benzothiadiazole SMILES: CC1(C)OB(OC1(C)C)C1=CC=C(B2OC(C)(C)C(C)(C)O2)C2=NSN=C12

PubChem CID 46739758
CAS 934365-16-9
Molecular Weight (g/mol) 388.10
MDL Number MFCD11656086
SMILES CC1(C)OB(OC1(C)C)C1=CC=C(B2OC(C)(C)C(C)(C)O2)C2=NSN=C12
Synonym 2,1,3-Benzothiadiazole-4,7-diboronic Acid Bis(pinacol) Ester
IUPAC Name 4,7-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,1,3-benzothiadiazole
InChI Key DHWADSHFLSDMBJ-UHFFFAOYSA-N
Molecular Formula C18H26B2N2O4S
5

7-Bromo-2,1,3-benzothiadiazole-4-carboxaldehyde 98.0+%, TCI America™

CAS: 1071224-34-4 Molecular Formula: C7H3BrN2OS Molecular Weight (g/mol): 243.078 MDL Number: MFCD23704428 InChI Key: VPDPNJVAWKCZEH-UHFFFAOYSA-N Synonym: 7-Bromo-4-formyl-2,1,3-benzothiadiazole PubChem CID: 58497962 IUPAC Name: 4-bromo-2,1,3-benzothiadiazole-7-carbaldehyde SMILES: C1=C(C2=NSN=C2C(=C1)Br)C=O

PubChem CID 58497962
CAS 1071224-34-4
Molecular Weight (g/mol) 243.078
MDL Number MFCD23704428
SMILES C1=C(C2=NSN=C2C(=C1)Br)C=O
Synonym 7-Bromo-4-formyl-2,1,3-benzothiadiazole
IUPAC Name 4-bromo-2,1,3-benzothiadiazole-7-carbaldehyde
InChI Key VPDPNJVAWKCZEH-UHFFFAOYSA-N
Molecular Formula C7H3BrN2OS
6

7-Bromo-2,1,3-benzothiadiazole-4-carbonitrile 96.0+%, TCI America™

CAS: 1331742-86-9 Molecular Formula: C7H2BrN3S Molecular Weight (g/mol): 240.078 MDL Number: MFCD28966927 InChI Key: ORLZWSSVSNUQAZ-UHFFFAOYSA-N Synonym: 7-Bromo-4-cyano-2,1,3-benzothiadiazole PubChem CID: 101043345 IUPAC Name: 4-bromo-2,1,3-benzothiadiazole-7-carbonitrile SMILES: C1=C(C2=NSN=C2C(=C1)Br)C#N

PubChem CID 101043345
CAS 1331742-86-9
Molecular Weight (g/mol) 240.078
MDL Number MFCD28966927
SMILES C1=C(C2=NSN=C2C(=C1)Br)C#N
Synonym 7-Bromo-4-cyano-2,1,3-benzothiadiazole
IUPAC Name 4-bromo-2,1,3-benzothiadiazole-7-carbonitrile
InChI Key ORLZWSSVSNUQAZ-UHFFFAOYSA-N
Molecular Formula C7H2BrN3S
7

4,7-Dibromo-2,1,3-benzothiadiazole 98.0+%, TCI America™

CAS: 15155-41-6 Molecular Formula: C6H2Br2N2S Molecular Weight (g/mol): 293.96 MDL Number: MFCD00658844 InChI Key: FEOWHLLJXAECMU-UHFFFAOYSA-N Synonym: 4,7-dibromobenzo c 1,2,5 thiadiazole,4,7-dibromo-2,1,3-benzothidiazole,4,7-dibromobenzo c-1,2,5-thiadiazole,2,1,3-benzothiadiazole, 4,7-dibromo,acmc-1bu18,ksc490o9b,4,7-dibromobenzo 1,2,5 thiadiazole,4,7-dibromobenzo 2,1,3 thiadiazole,4,7-dibromo-2,1,3-benzothiadiazole,4,7-dibromo-benzo 1,2,5 thiadiazole PubChem CID: 626361 IUPAC Name: 4,7-dibromo-2,1,3-benzothiadiazole SMILES: BrC1=CC=C(Br)C2=NSN=C12

PubChem CID 626361
CAS 15155-41-6
Molecular Weight (g/mol) 293.96
MDL Number MFCD00658844
SMILES BrC1=CC=C(Br)C2=NSN=C12
Synonym 4,7-dibromobenzo c 1,2,5 thiadiazole,4,7-dibromo-2,1,3-benzothidiazole,4,7-dibromobenzo c-1,2,5-thiadiazole,2,1,3-benzothiadiazole, 4,7-dibromo,acmc-1bu18,ksc490o9b,4,7-dibromobenzo 1,2,5 thiadiazole,4,7-dibromobenzo 2,1,3 thiadiazole,4,7-dibromo-2,1,3-benzothiadiazole,4,7-dibromo-benzo 1,2,5 thiadiazole
IUPAC Name 4,7-dibromo-2,1,3-benzothiadiazole
InChI Key FEOWHLLJXAECMU-UHFFFAOYSA-N
Molecular Formula C6H2Br2N2S
8

5,6-Dibromo-2,1,3-benzothiadiazole 98.0+%, TCI America™

CAS: 18392-81-9 Molecular Formula: C6H2Br2N2S Molecular Weight (g/mol): 293.96 MDL Number: MFCD20257910 InChI Key: XIDGOHYQUCNHTL-UHFFFAOYSA-N PubChem CID: 11044589 IUPAC Name: 5,6-dibromo-2,1,3-benzothiadiazole SMILES: BrC1=CC2=NSN=C2C=C1Br

PubChem CID 11044589
CAS 18392-81-9
Molecular Weight (g/mol) 293.96
MDL Number MFCD20257910
SMILES BrC1=CC2=NSN=C2C=C1Br
IUPAC Name 5,6-dibromo-2,1,3-benzothiadiazole
InChI Key XIDGOHYQUCNHTL-UHFFFAOYSA-N
Molecular Formula C6H2Br2N2S
9

2-[(7-Bromo-2,1,3-benzothiadiazol-4-yl)methylene]malononitrile 98.0+%, TCI America™

CAS: 1335150-10-1 Molecular Formula: C10H3BrN4S Molecular Weight (g/mol): 291.126 MDL Number: MFCD23704429 InChI Key: ZNWYPDKJWGLSQU-UHFFFAOYSA-N PubChem CID: 89394801 IUPAC Name: 2-[(4-bromo-2,1,3-benzothiadiazol-7-yl)methylidene]propanedinitrile SMILES: C1=C(C2=NSN=C2C(=C1)Br)C=C(C#N)C#N

PubChem CID 89394801
CAS 1335150-10-1
Molecular Weight (g/mol) 291.126
MDL Number MFCD23704429
SMILES C1=C(C2=NSN=C2C(=C1)Br)C=C(C#N)C#N
IUPAC Name 2-[(4-bromo-2,1,3-benzothiadiazol-7-yl)methylidene]propanedinitrile
InChI Key ZNWYPDKJWGLSQU-UHFFFAOYSA-N
Molecular Formula C10H3BrN4S
10

4,7-Bis(5-trimethylstannyl-2-thienyl)-2,1,3-benzothiadiazole 95.0+%, TCI America™

CAS: 1025451-57-3 Molecular Formula: C20H24N2S3Sn2 Molecular Weight (g/mol): 626.026 InChI Key: INHYKPMJJAWZKY-UHFFFAOYSA-N PubChem CID: 58153009 IUPAC Name: trimethyl-[5-[4-(5-trimethylstannylthiophen-2-yl)-2,1,3-benzothiadiazol-7-yl]thiophen-2-yl]stannane SMILES: C[Sn](C)(C)C1=CC=C(S1)C2=CC=C(C3=NSN=C23)C4=CC=C(S4)[Sn](C)(C)C

PubChem CID 58153009
CAS 1025451-57-3
Molecular Weight (g/mol) 626.026
SMILES C[Sn](C)(C)C1=CC=C(S1)C2=CC=C(C3=NSN=C23)C4=CC=C(S4)[Sn](C)(C)C
IUPAC Name trimethyl-[5-[4-(5-trimethylstannylthiophen-2-yl)-2,1,3-benzothiadiazol-7-yl]thiophen-2-yl]stannane
InChI Key INHYKPMJJAWZKY-UHFFFAOYSA-N
Molecular Formula C20H24N2S3Sn2
11

4-Nitro-2,1,3-benzothiadiazole 98.0+%, TCI America™

CAS: 6583-06-8 Molecular Formula: C6H3N3O2S Molecular Weight (g/mol): 181.17 MDL Number: MFCD00068050 InChI Key: IWQKAMJGVIHECB-UHFFFAOYSA-N Synonym: 4-nitrobenzo c 1,2,5 thiadiazole,4-nitropiazthiole,2,1,3-benzothiadiazole, 4-nitro,4-nitro-1,2,3-benzothiadiazole,4-nitro-benzo 1,2,5 thiadiazole,4-nitro-2??,1,3-benzothiadiazole,4-nitrobenzo c 1,2,5-thiadiazole,d0v8fg,acmc-1b59l,4-bromo-2,8-dimethylphenol PubChem CID: 81062 IUPAC Name: 4-nitro-2,1,3-benzothiadiazole SMILES: C1=CC2=NSN=C2C(=C1)[N+](=O)[O-]

PubChem CID 81062
CAS 6583-06-8
Molecular Weight (g/mol) 181.17
MDL Number MFCD00068050
SMILES C1=CC2=NSN=C2C(=C1)[N+](=O)[O-]
Synonym 4-nitrobenzo c 1,2,5 thiadiazole,4-nitropiazthiole,2,1,3-benzothiadiazole, 4-nitro,4-nitro-1,2,3-benzothiadiazole,4-nitro-benzo 1,2,5 thiadiazole,4-nitro-2??,1,3-benzothiadiazole,4-nitrobenzo c 1,2,5-thiadiazole,d0v8fg,acmc-1b59l,4-bromo-2,8-dimethylphenol
IUPAC Name 4-nitro-2,1,3-benzothiadiazole
InChI Key IWQKAMJGVIHECB-UHFFFAOYSA-N
Molecular Formula C6H3N3O2S
12

4-Amino-2,1,3-benzothiadiazole 98.0+%, TCI America™

CAS: 767-64-6 Molecular Formula: C6H5N3S Molecular Weight (g/mol): 151.187 MDL Number: MFCD00005810 InChI Key: DRLGIZIAMHIQHL-UHFFFAOYSA-N Synonym: 4-aminobenzo-2,1,3-thiadiazole,4-amino-2,1,3-benzothiadiazole,4-aminopiazthiole,benzo c 1,2,5 thiadiazol-4-amine,2,1,3-benzothiadiazole, 4-amino,7-amino-2,1,3-benzothiadiazole,benzo 1,2,5 thiadiazol-4-ylamine,2,1,3-benzothiadiazole, 7-amino,2,1,3-benzothiadiazol-4-ylamine,2,1,3-benzothiadiazol-4 1h-imine PubChem CID: 69845 IUPAC Name: 2,1,3-benzothiadiazol-4-amine SMILES: C1=CC2=NSN=C2C(=C1)N

PubChem CID 69845
CAS 767-64-6
Molecular Weight (g/mol) 151.187
MDL Number MFCD00005810
SMILES C1=CC2=NSN=C2C(=C1)N
Synonym 4-aminobenzo-2,1,3-thiadiazole,4-amino-2,1,3-benzothiadiazole,4-aminopiazthiole,benzo c 1,2,5 thiadiazol-4-amine,2,1,3-benzothiadiazole, 4-amino,7-amino-2,1,3-benzothiadiazole,benzo 1,2,5 thiadiazol-4-ylamine,2,1,3-benzothiadiazole, 7-amino,2,1,3-benzothiadiazol-4-ylamine,2,1,3-benzothiadiazol-4 1h-imine
IUPAC Name 2,1,3-benzothiadiazol-4-amine
InChI Key DRLGIZIAMHIQHL-UHFFFAOYSA-N
Molecular Formula C6H5N3S
13

2,1,3-Benzothiadiazole 99.0+%, TCI America™

CAS: 273-13-2 Molecular Formula: C6H4N2S Molecular Weight (g/mol): 136.172 MDL Number: MFCD00005809 InChI Key: PDQRQJVPEFGVRK-UHFFFAOYSA-N Synonym: piazthiole,benzisothiadiazole,benzo 1,2,5 thiadiazole,benzo c 1,2,5 thiadiazole,2-thia-1,3-diaza-2h-isoindene,3,4-benzo-1,2,5-thiadiazole,2??,1,3-benzothiadiazole,2,3-benzothiadiazole,3,2,5-thiadiazole,benzo-1,2,5-thiadiazole PubChem CID: 67502 IUPAC Name: 2,1,3-benzothiadiazole SMILES: C1=CC2=NSN=C2C=C1

PubChem CID 67502
CAS 273-13-2
Molecular Weight (g/mol) 136.172
MDL Number MFCD00005809
SMILES C1=CC2=NSN=C2C=C1
Synonym piazthiole,benzisothiadiazole,benzo 1,2,5 thiadiazole,benzo c 1,2,5 thiadiazole,2-thia-1,3-diaza-2h-isoindene,3,4-benzo-1,2,5-thiadiazole,2??,1,3-benzothiadiazole,2,3-benzothiadiazole,3,2,5-thiadiazole,benzo-1,2,5-thiadiazole
IUPAC Name 2,1,3-benzothiadiazole
InChI Key PDQRQJVPEFGVRK-UHFFFAOYSA-N
Molecular Formula C6H4N2S