Name: Name:2-[(1,1-dioxo-1,2-benzothiazol-3-yl)sulfanyl]acetic acid
Brand: Angene
SKU: AG019OCC
Rating: 90 (10 reviews)

2-[(1,1-dioxo-1,2-benzothiazol-3-yl)sulfanyl]acetic acid

CAS No.:

854357-37-2

Catalog Number:

AG019OCC

Molecular Formula:

C9H7NO4S2

Molecular Weight:

257.2862

Catalog Number:

AG019OCC

Chemical Name:

2-[(1,1-dioxo-1,2-benzothiazol-3-yl)sulfanyl]acetic acid

CAS Number:

854357-37-2

Molecular Formula:

C9H7NO4S2

Molecular Weight:

257.2862

MDL Number:

MFCD06655906

IUPAC Name:

2-[(1,1-dioxo-1,2-benzothiazol-3-yl)sulfanyl]acetic acid

InChI:

InChI=1S/C9H7NO4S2/c11-8(12)5-15-9-6-3-1-2-4-7(6)16(13,14)10-9/h1-4H,5H2,(H,11,12)

InChI Key:

LYHWDWXFGPHJOQ-UHFFFAOYSA-N

SMILES:

OC(=O)CSC1=NS(=O)(=O)c2c1cccc2

Complexity:

423

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

256.982g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

257.278g/mol

Monoisotopic Mass:

256.982g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

118A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.9