Name: Name:5-Amino-1,2-benzisothiazol-3(2H)-one 1,1-dioxide
Brand: Angene
SKU: AG00346O
Rating: 90 (10 reviews)

5-Amino-1,2-benzisothiazol-3(2H)-one 1,1-dioxide

CAS No.:

22094-61-7

Catalog Number:

AG00346O

Molecular Formula:

C7H6N2O3S

Molecular Weight:

198.1991

Catalog Number:

AG00346O

Chemical Name:

5-Amino-1,2-benzisothiazol-3(2H)-one 1,1-dioxide

CAS Number:

22094-61-7

Molecular Formula:

C7H6N2O3S

Molecular Weight:

198.1991

MDL Number:

MFCD12405559

IUPAC Name:

5-amino-1,1-dioxo-1,2-benzothiazol-3-one

InChI:

InChI=1S/C7H6N2O3S/c8-4-1-2-6-5(3-4)7(10)9-13(6,11)12/h1-3H,8H2,(H,9,10)

InChI Key:

XHLASMNHDRLNJQ-UHFFFAOYSA-N

SMILES:

Nc1ccc2c(c1)C(=O)NS2(=O)=O

Complexity:

332

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

198.01g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

198.196g/mol

Monoisotopic Mass:

198.01g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

97.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.2