Compound C11H9NO3S

2,2-dioxo-3-prop-2-ynyl-1H-2lambda6,3-benzothiazin-4-one

CAS: 31846-49-8

Molecular Formula	`C11H9NO3S`
Molecular Weight	235.26 g/mol
LogP	0.6
Topological Polar Surface Area	62.8 A2
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	3
Rotatable Bonds	1
Exact Mass	235.03032
Heavy Atoms	16
Complexity	440.0

Chemical Identifiers

CAS Number	31846-49-8
SMILES	`C#CCN1C(=O)C2=CC=CC=C2CS1(=O)=O`
InChIKey	`PCUVRILJYXQWBX-UHFFFAOYSA-N`

📖 Product Overview

Compound C11H9NO3S (CAS: 31846-49-8) is a chemical compound with molecular formula C11H9NO3S and molecular weight 235.26 g/mol. Its IUPAC systematic name is 2,2-dioxo-3-prop-2-ynyl-1H-2lambda6,3-benzothiazin-4-one. LogP 0.6 Topological Polar Surface Area 62.8 A2 Hydrogen Bond Donors 0 Hydrogen Bond Acceptors 3 Rotatable Bonds 1 Exact Mass 235.03032 Heavy Atoms 16 Complexity 440.0 InChI Key: PCUVRILJYXQWBX-UHFFFAOYSA-N. SMILES: C#CCN1C(=O)C2=CC=CC=C2CS1(=O)=O.

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