Pentanoic acid, 4,4-bis(dodecylthio)- structure

Pentanoic acid, 4,4-bis(dodecylthio)-

4,4-bis(dodecylsulfanyl)pentanoic acid

CAS: 4200-61-7
Molecular Formula C29H58O2S2
Molecular Weight 502.9 g/mol
LogP 12.9
Topological Polar Surface Area 87.9 A2
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 4
Rotatable Bonds 27
Exact Mass 502.38782
Heavy Atoms 33
Complexity 388.0

Chemical Identifiers

CAS Number 4200-61-7
SMILES CCCCCCCCCCCCSC(C)(CCC(=O)O)SCCCCCCCCCCCC
InChIKey XWIMFKGLFGDSOG-UHFFFAOYSA-N

📖 Product Overview

Pentanoic acid, 4,4-bis(dodecylthio)- (CAS: 4200-61-7) is a chemical compound with molecular formula C29H58O2S2 and molecular weight 502.9 g/mol. Its IUPAC systematic name is 4,4-bis(dodecylsulfanyl)pentanoic acid. LogP 12.9 Topological Polar Surface Area 87.9 A2 Hydrogen Bond Donors 1 Hydrogen Bond Acceptors 4 Rotatable Bonds 27 Exact Mass 502.38782 Heavy Atoms 33 Complexity 388.0 InChI Key: XWIMFKGLFGDSOG-UHFFFAOYSA-N. SMILES: CCCCCCCCCCCCSC(C)(CCC(=O)O)SCCCCCCCCCCCC.

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