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2,3-Dimercapto-1-Propanol Tributyrate
[CAS# 58428-97-0]

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Identification
Name 2,3-Dimercapto-1-Propanol Tributyrate
Synonyms Butanoic Acid 2,3-Bis(1-Oxobutylthio)Propyl Ester; Butyric Acid 2,3-Bis(Butyrylthio)Propyl Ester; Tbdmp Cpd
Molecular Formula C15H26O4S2
Molecular Weight 334.49
CAS Registry Number 58428-97-0
SMILES C(C(CSC(CCC)=O)SC(CCC)=O)OC(CCC)=O
InChI 1S/C15H26O4S2/c1-4-7-13(16)19-10-12(21-15(18)9-6-3)11-20-14(17)8-5-2/h12H,4-11H2,1-3H3
InChIKey NHBKXEKEPDILRR-UHFFFAOYSA-N
Properties
Density 1.107g/cm3 (Cal.)
Boiling point 409.254°C at 760 mmHg (Cal.)
Flash point 201.904°C (Cal.)
Safety Data
SDS Available
References
(1) Philip Prathipati, Ngai Ling Ma* and Thomas H. Keller. Global Bayesian Models for the Prioritization of Antitubercular Agents, J. Chem. Inf. Model., 2008, 48 (12), pp 2362–2370
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