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Basic Information
CAS No.: 34619-12-0
Name: 4-Mercapto-2-butanone
Article Data: 8
Molecular Structure:
Molecular Structure of 34619-12-0 (4-Mercapto-2-butanone)
Formula: C4H8OS
Molecular Weight: 104.173
Synonyms: 2-Keto-4-butanethiol;2-Butanone, 4-mercapto-;
Density: 0.985 g/cm3
Melting Point: 59-60 ºC (15 MM HG)
Boiling Point: 167 ºC at 760 mmHg
Flash Point: 54.8 ºC
PSA: 55.87000
LogP: 0.89530
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Chemistry


IUPAC Name: 4-Sulfanylbutan-2-one
Canonical SMILES: CC(=O)CCS
InChI: InChI=1S/C4H8OS/c1-4(5)2-3-6/h6H,2-3H2,1H3
InChIKey: LBFXPJUFQGXMJY-UHFFFAOYSA-N
Molecular Weight: 104.17072 [g/mol]
Molecular Formula: C4H8OS
XLogP3-AA: 0.2
H-Bond Donor: 0
H-Bond Acceptor: 1 
Index of Refraction: 1.451
Molar Refractivity: 28.5 cm3
Molar Volume: 105.7 cm3
Surface Tension: 30.3 dyne/cm
Density: 0.985 g/cm3
Flash Point: 54.8 °C
Enthalpy of Vaporization: 40.34 kJ/mol
Boiling Point: 167 °C at 760 mmHg
Vapour Pressure: 1.74 mmHg at 25 °C
Melting Point: 59-60 °C (15 mm Hg)
Product Categories of 4-Mercapto-2-butanone (CAS NO.34619-12-0): thiol Flavor

Specification

 4-Mercapto-2-butanone (CAS NO.34619-12-0), its Synonyms are 2-Butanone, 4-mercapto- ; 2-Keto-4-butanethiol .