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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

Sigma Aldrich 6-(Trifluoromethyl)-2H-benzo[b][1,4]oxazin-3(4H)-one

MilliporeSigma Sigma Organics products encompass a wide range of quality reagents, solvents, catalysts, and building blocks for organic synthesis. From benchtop discovery to process development and scale-up, Sigma Organics solutions are built to meet the needs of synthetic chemists.

ENCOMPASS ENCOMPASS_PREFERRED
CAS 189940-04-3
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-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
4

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
5

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
6

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

CAS: 1295502-53-2 Molecular Formula: C6Br2F2N2S Molecular Weight (g/mol): 329.945 InChI Key: HFUBKQHDPJZQIW-UHFFFAOYSA-N PubChem CID: 59523104 IUPAC Name: 4,7-dibromo-5,6-difluoro-2,1,3-benzothiadiazole SMILES: C1(=C(C2=NSN=C2C(=C1F)Br)Br)F

PubChem CID 59523104
CAS 1295502-53-2
Molecular Weight (g/mol) 329.945
SMILES C1(=C(C2=NSN=C2C(=C1F)Br)Br)F
IUPAC Name 4,7-dibromo-5,6-difluoro-2,1,3-benzothiadiazole
InChI Key HFUBKQHDPJZQIW-UHFFFAOYSA-N
Molecular Formula C6Br2F2N2S
7

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
8

Naphtho[1,2-c:5,6-c']bis([1,2,5]thiadiazole) 98.0+%, TCI America™

CAS: 133546-47-1 Molecular Formula: C10H4N4S2 Molecular Weight (g/mol): 244.29 MDL Number: MFCD28579827 InChI Key: VHHDKHOBNKXVNU-UHFFFAOYSA-N PubChem CID: 14896996 IUPAC Name: [2,1,3]benzothiadiazolo[7,6-g][2,1,3]benzothiadiazole SMILES: C1=CC2=NSN=C2C3=C1C4=NSN=C4C=C3

PubChem CID 14896996
CAS 133546-47-1
Molecular Weight (g/mol) 244.29
MDL Number MFCD28579827
SMILES C1=CC2=NSN=C2C3=C1C4=NSN=C4C=C3
IUPAC Name [2,1,3]benzothiadiazolo[7,6-g][2,1,3]benzothiadiazole
InChI Key VHHDKHOBNKXVNU-UHFFFAOYSA-N
Molecular Formula C10H4N4S2
9

4,7-Dibromo-5,6-bis(dodecyloxy)-2,1,3-benzothiadiazole 98.0+%, TCI America™

CAS: 1313876-00-4 Molecular Formula: C30H50Br2N2O2S Molecular Weight (g/mol): 662.61 InChI Key: DVDXEQCMUYXONV-UHFFFAOYSA-N PubChem CID: 71143603 IUPAC Name: 4,7-dibromo-5,6-didodecoxy-2,1,3-benzothiadiazole SMILES: CCCCCCCCCCCCOC1=C(C2=NSN=C2C(=C1OCCCCCCCCCCCC)Br)Br

PubChem CID 71143603
CAS 1313876-00-4
Molecular Weight (g/mol) 662.61
SMILES CCCCCCCCCCCCOC1=C(C2=NSN=C2C(=C1OCCCCCCCCCCCC)Br)Br
IUPAC Name 4,7-dibromo-5,6-didodecoxy-2,1,3-benzothiadiazole
InChI Key DVDXEQCMUYXONV-UHFFFAOYSA-N
Molecular Formula C30H50Br2N2O2S
10

4,7-Bis(5-bromo-4-dodecyl-2-thienyl)-2,1,3-benzothiadiazole 98.0+%, TCI America™

CAS: 1179993-72-6 Molecular Formula: C38H54Br2N2S3 Molecular Weight (g/mol): 794.85 MDL Number: MFCD27923036 InChI Key: ZFMZIVKXDPTWBS-UHFFFAOYSA-N PubChem CID: 59609199 IUPAC Name: 4,7-bis(5-bromo-4-dodecylthiophen-2-yl)-2,1,3-benzothiadiazole SMILES: CCCCCCCCCCCCC1=C(Br)SC(=C1)C1=CC=C(C2=CC(CCCCCCCCCCCC)=C(Br)S2)C2=NSN=C12

PubChem CID 59609199
CAS 1179993-72-6
Molecular Weight (g/mol) 794.85
MDL Number MFCD27923036
SMILES CCCCCCCCCCCCC1=C(Br)SC(=C1)C1=CC=C(C2=CC(CCCCCCCCCCCC)=C(Br)S2)C2=NSN=C12
IUPAC Name 4,7-bis(5-bromo-4-dodecylthiophen-2-yl)-2,1,3-benzothiadiazole
InChI Key ZFMZIVKXDPTWBS-UHFFFAOYSA-N
Molecular Formula C38H54Br2N2S3
11

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
12

4,7-Bis(5-bromo-4-n-octyl-2-thienyl)-2,1,3-benzothiadiazole 97.0+%, TCI America™

CAS: 457931-23-6 Molecular Formula: C30H38Br2N2S3 Molecular Weight (g/mol): 682.636 InChI Key: AMYLTENEOQNKGO-UHFFFAOYSA-N PubChem CID: 102243665 IUPAC Name: 4,7-bis(5-bromo-4-octylthiophen-2-yl)-2,1,3-benzothiadiazole SMILES: CCCCCCCCC1=C(SC(=C1)C2=CC=C(C3=NSN=C23)C4=CC(=C(S4)Br)CCCCCCCC)Br

PubChem CID 102243665
CAS 457931-23-6
Molecular Weight (g/mol) 682.636
SMILES CCCCCCCCC1=C(SC(=C1)C2=CC=C(C3=NSN=C23)C4=CC(=C(S4)Br)CCCCCCCC)Br
IUPAC Name 4,7-bis(5-bromo-4-octylthiophen-2-yl)-2,1,3-benzothiadiazole
InChI Key AMYLTENEOQNKGO-UHFFFAOYSA-N
Molecular Formula C30H38Br2N2S3
13

2,1,3-Benzothiadiazole-5-carbaldehyde, 97%, Thermo Scientific™

CAS: 71605-72-6 Molecular Formula: C7H4N2OS Molecular Weight (g/mol): 164.182 MDL Number: MFCD00457949 InChI Key: GEFIFDVQYCPLHC-UHFFFAOYSA-N Synonym: benzo c 1,2,5 thiadiazole-5-carbaldehyde,2,1,3-benzothiadiazole-5-carboxaldehyde,benzo 1,2,5 thiadiazole-5-carbaldehyde,5-formyl-2,1,3-benzothiadiazole,5-formylbenzo-2,1,3-thiadiazole,benzo 1,2,5 thiadiazol-5-carbaldehyde,benzo 1,2,5 thiadiazole-5-carboxaldehyde PubChem CID: 2776290 IUPAC Name: 2,1,3-benzothiadiazole-5-carbaldehyde SMILES: C1=CC2=NSN=C2C=C1C=O

PubChem CID 2776290
CAS 71605-72-6
Molecular Weight (g/mol) 164.182
MDL Number MFCD00457949
SMILES C1=CC2=NSN=C2C=C1C=O
Synonym benzo c 1,2,5 thiadiazole-5-carbaldehyde,2,1,3-benzothiadiazole-5-carboxaldehyde,benzo 1,2,5 thiadiazole-5-carbaldehyde,5-formyl-2,1,3-benzothiadiazole,5-formylbenzo-2,1,3-thiadiazole,benzo 1,2,5 thiadiazol-5-carbaldehyde,benzo 1,2,5 thiadiazole-5-carboxaldehyde
IUPAC Name 2,1,3-benzothiadiazole-5-carbaldehyde
InChI Key GEFIFDVQYCPLHC-UHFFFAOYSA-N
Molecular Formula C7H4N2OS
14

4,7-Dibromo-2,1,3-benzothiadiazole, 97%

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
15

4-Aminobenzo-2,1,3-thiadiazole, 98%

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