Name: Name:2-(2,1,3-benzothiadiazole-4-sulfonyl)acetic acid
Brand: Angene
SKU: AG01DWM6
Rating: 90 (10 reviews)

2-(2,1,3-benzothiadiazole-4-sulfonyl)acetic acid

CAS No.:

706766-79-2

Catalog Number:

AG01DWM6

Molecular Formula:

C8H6N2O4S2

Molecular Weight:

258.2742

Catalog Number:

AG01DWM6

Chemical Name:

2-(2,1,3-benzothiadiazole-4-sulfonyl)acetic acid

CAS Number:

706766-79-2

Molecular Formula:

C8H6N2O4S2

Molecular Weight:

258.2742

MDL Number:

MFCD03834416

IUPAC Name:

2-(2,1,3-benzothiadiazol-4-ylsulfonyl)acetic acid

InChI:

InChI=1S/C8H6N2O4S2/c11-7(12)4-16(13,14)6-3-1-2-5-8(6)10-15-9-5/h1-3H,4H2,(H,11,12)

InChI Key:

ZFFUCOZVHYMKRD-UHFFFAOYSA-N

SMILES:

OC(=O)CS(=O)(=O)c1cccc2c1nsn2

Complexity:

378

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

257.977g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

258.266g/mol

Monoisotopic Mass:

257.977g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

134A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.6