2-(hydroxymethyl)-1,1-dioxo-1,2-benzothiazol-3-one

CAS: 13947-20-1

Molecular Formula	`C8H7NO4S`
Molecular Weight	213.21 g/mol
LogP	0.6
Topological Polar Surface Area	83.1 A2
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	4
Rotatable Bonds	1
Exact Mass	213.00958
Heavy Atoms	14
Complexity	345.0

Chemical Identifiers

CAS Number	13947-20-1
SMILES	`C1=CC=C2C(=C1)C(=O)N(S2(=O)=O)CO`
InChIKey	`PZWPTWZDBJUEMM-UHFFFAOYSA-N`

📖 Product Overview

2-(hydroxymethyl)-1,1-dioxo-1,2-benzothiazol-3-one (CAS: 13947-20-1) is a chemical compound with molecular formula C8H7NO4S and molecular weight 213.21 g/mol. Its IUPAC systematic name is 2-(hydroxymethyl)-1,1-dioxo-1,2-benzothiazol-3-one. LogP 0.6 Topological Polar Surface Area 83.1 A2 Hydrogen Bond Donors 1 Hydrogen Bond Acceptors 4 Rotatable Bonds 1 Exact Mass 213.00958 Heavy Atoms 14 Complexity 345.0 InChI Key: PZWPTWZDBJUEMM-UHFFFAOYSA-N. SMILES: C1=CC=C2C(=C1)C(=O)N(S2(=O)=O)CO.

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