Acetic acid, (sec-butylidenedithio)di-

HCID 20264

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Basic information

CAS: 4265-61-6
Standard SMILES: CCC(C)(SCC(=O)O)SCC(=O)O
InChIKey: WJUAJNWYBNSKAO-UHFFFAOYSA-N
Molecular formula: C8H14O4S2
Average molar mass: 238.3 g/mol
Monoisotopic mass: 238.03335127

Names & identifiers

Preferred name: Acetic acid, (sec-butylidenedithio)di-
IUPAC: 2-[2-(carboxymethylsulfanyl)butan-2-ylsulfanyl]acetic acid
English name: [(1-Methylpropylidene)bisthio]diacetic acid
Molecular formula: C8H14O4S2
Molecular weight: 238.32

Names & synonyms

(sec-Butylidenedithio)diacetic acidACETIC ACID, (sec-BUTYLIDENEDITHIO)DI-4265-61-6BRN 1782940DTXSID201953813-03-00-00420 (Beilstein Handbook Reference)RefChem:316353DTXCID30117872[(1-Methylpropylidene)bisthio]diacetic acid2,2'-[Butane-2,2-diylbis(sulfanediyl)]diacetic acidAcetic acid, 2,2'-[(1-methylpropylidene)bis(thio)]bis-

Database identifiers

CAS: 4265-61-6
PubChem CID: 20264
DTXSID: DTXSID20195381
Nikkaji: J54.188E

Properties

Computed structural properties

XLogP: 2
Topological polar surface area: 125 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 6
Rotatable bonds: 7
Heavy atoms: 14
Formal charge: 0
Complexity: 199

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