Compound C12H21NO4S2

4-(8-amino-8-oxo-1-sulfanyloctan-3-yl)sulfanyl-4-oxobutanoic acid

CAS: 68041-51-0

Molecular Formula	`C12H21NO4S2`
Molecular Weight	307.4 g/mol
LogP	0.7
Topological Polar Surface Area	124.0 A2
Hydrogen Bond Donors	3
Hydrogen Bond Acceptors	6
Rotatable Bonds	12
Exact Mass	307.0912
Heavy Atoms	19
Complexity	310.0

Chemical Identifiers

CAS Number	68041-51-0
SMILES	`C(CCC(=O)N)CC(CCS)SC(=O)CCC(=O)O`
InChIKey	`RJCJWONCSKSHES-UHFFFAOYSA-N`

📖 Product Overview

Compound C12H21NO4S2 (CAS: 68041-51-0) is a chemical compound with molecular formula C12H21NO4S2 and molecular weight 307.4 g/mol. Its IUPAC systematic name is 4-(8-amino-8-oxo-1-sulfanyloctan-3-yl)sulfanyl-4-oxobutanoic acid. LogP 0.7 Topological Polar Surface Area 124.0 A2 Hydrogen Bond Donors 3 Hydrogen Bond Acceptors 6 Rotatable Bonds 12 Exact Mass 307.0912 Heavy Atoms 19 Complexity 310.0 InChI Key: RJCJWONCSKSHES-UHFFFAOYSA-N. SMILES: C(CCC(=O)N)CC(CCS)SC(=O)CCC(=O)O.

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