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92585-08-5

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Basic Information
CAS No.: 92585-08-5
Name: 2-Pentanone, 4-mercapto- (9CI)
Article Data: 2
Molecular Structure:
Molecular Structure of 92585-08-5 (2-Pentanone, 4-mercapto- (9CI))
Formula: C5H10OS
Molecular Weight: 118.2
Synonyms: 2-Mercapto-4-pentanone;4-Mercaptopentan-2-one;
Density: 0.964g/cm3
Boiling Point: 173°Cat760mmHg
Flash Point: 58.4°C
PSA: 55.87000
LogP: 1.28380
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Chemistry

Molecular Structure of 4-Mercapto-2-pentanone (CAS NO.92585-08-5):

Systematic Name: 4-Sulfanylpentan-2-one 
Molecular Formula: C5H10OS
Molecular Weight: 118.20
FEMA: 4157 
Nominal Mass: 118
Average Mass: 118.1973 
Monoisotopic Mass: 118.045235 
H bond acceptors: 1
H bond donors: 0
Freely Rotating Bonds: 3
Index of Refraction: 1.452
Molar Refractivity: 33.09 cm3
Molar Volume: 122.6 cm3
Surface Tension: 29.3 dyne/cm
Density: 0.964 g/cm3
Flash Point: 58.4 °C
Enthalpy of Vaporization: 40.93 kJ/mol
Boiling Point: 173 °C at 760 mmHg
Vapour Pressure: 1.3 mmHg at 25 °C
Product Categories: ACETYLGROUP
SMILES: O=C(C)CC(S)C
InChI: InChI=1/C5H10OS/c1-4(6)3-5(2)7/h5,7H,3H2,1-2H3
InChIKey: KHIPEWLRUGVKIC-UHFFFAOYAS

Specification

 4-Mercapto-2-pentanone (CAS NO.92585-08-5), its Synonyms are 2-Pentanone,4-mercapto- ; 2-Mercapto-4-pentanone ; 4-Mercaptopentan-2-one ; 2-Pentanone, 4-mercapto- (9CI) .