6-Amino-1,1-dioxo-1,2-benzothiazol-3-one

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Catalog Number

ACM22094628

Product Name

CAS

22094-62-8

Category

Heterocyclic Organic Compound

IUPAC Name

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

Molecular Weight

198.2g/mol

Molecular Formula

C7H6N2O3S

Canonical SMILES

C1=CC2=C(C=C1N)S(=O)(=O)NC2=O

InChI

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

InChI Key

SSRKZHLPNHLAKM-UHFFFAOYSA-N

Complexity

332

Covalently-Bonded Unit Count

Exact Mass

198.009913g/mol

Formal Charge

H-Bond Acceptor

H-Bond Donor

Heavy Atom Count

Monoisotopic Mass

198.009913g/mol

Rotatable Bond Count

XLogP3

0.2

MSDS

COA

Spec Sheet

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