Compound C9H13NO3S2

6-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)hexanoic acid

CAS: 4649-06-3

Molecular Formula	`C9H13NO3S2`
Molecular Weight	247.3 g/mol
LogP	1.4
Topological Polar Surface Area	115.0 A2
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	5
Rotatable Bonds	6
Exact Mass	247.03369
Heavy Atoms	15
Complexity	281.0

Chemical Identifiers

CAS Number	4649-06-3
SMILES	`C1C(=O)N(C(=S)S1)CCCCCC(=O)O`
InChIKey	`IRBFCXHIPZRVJO-UHFFFAOYSA-N`

📖 Product Overview

Compound C9H13NO3S2 (CAS: 4649-06-3) is a chemical compound with molecular formula C9H13NO3S2 and molecular weight 247.3 g/mol. Its IUPAC systematic name is 6-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)hexanoic acid. LogP 1.4 Topological Polar Surface Area 115.0 A2 Hydrogen Bond Donors 1 Hydrogen Bond Acceptors 5 Rotatable Bonds 6 Exact Mass 247.03369 Heavy Atoms 15 Complexity 281.0 InChI Key: IRBFCXHIPZRVJO-UHFFFAOYSA-N. SMILES: C1C(=O)N(C(=S)S1)CCCCCC(=O)O.

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