2,3-Bis(acetylsulfanyl)propyl acetate

HCID 42924

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Basic information

CAS: 59051-15-9
Standard SMILES: CC(=O)OCC(CSC(C)=O)SC(C)=O
InChIKey: MPXDRBQHZCUXHZ-UHFFFAOYSA-N
Molecular formula: C9H14O4S2
Average molar mass: 250.3 g/mol
Monoisotopic mass: 250.03335093

Names & identifiers

Preferred name: 2,3-Bis(acetylsulfanyl)propyl acetate
IUPAC: 2,3-bis(acetylsulfanyl)propyl acetate

Names & synonyms

2,3-bis(acetylsulfanyl)propyl acetate59051-15-9DTXSID30974508RefChem:1059281DTXCID401401934NIOSH/AJ7320000BRL 4032,3-Di(acetylthio)propyl acetateAJ732000002,3-Dimercapto-1-propanol triacetate (ester)1-Propanol, 2,3-dimercapto-, triacetate (ester)Triacetyl dimercaprol

Show more names

Acetic acid, thio-, S,S'-(1-(hydroxymethyl)ethylene) ester, acetate3-Acetoxy-1,2-bisacetylthiopropaneBRN 17924381-Propanol, 2,3-dimercapto-, triacetate2,3-Diacetylthiopropyl acetateACETIC ACID, TRIESTER with 2,3-DIMERCAPTO-1-PROPANOLEthanethioic acid, S,S'-(1-((acetyloxy)methyl)-1,2-ethanediyl) ester4-02-00-00555 (Beilstein Handbook Reference)

Database identifiers

CAS: 59051-15-9
PubChem CID: 42924
DTXSID: DTXSID30974508

Properties

Computed structural properties

XLogP: 1
Topological polar surface area: 111 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 6
Rotatable bonds: 8
Heavy atoms: 15
Formal charge: 0
Complexity: 252

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