Systematic Name: Butane-1,2-dithiol
Synonyms of 1,2-Butanedithiol (CAS NO.16128-68-0): 1,2-Dimercaptobutane ; 1,2-Dithiolbutane ; 1-Ethyl-1,2-ethanedithiol
CAS NO: 16128-68-0
Molecular Formula: C4H10S2
Molecular Weight: 122.24
Molecular Structure:
EINECS: 240-290-8
FEMA: 3528
H bond acceptors: 0
H bond donors: 0
Freely Rotating Bonds: 4
Polar Surface Area: 50.6Å2
Index of Refraction: 1.502
Molar Refractivity: 36.33 cm3
Molar Volume: 123 cm3
Surface Tension: 31.8 dyne/cm
Density: 0.993 g/cm3
Flash Point: 61.1 °C
Enthalpy of Vaporization: 39.59 kJ/mol
Boiling Point: 176.5 °C at 760 mmHg
Vapour Pressure: 1.47 mmHg at 25°C
SMILES: SCC(S)CC
InChI: InChI=1/C4H10S2/c1-2-4(6)3-5/h4-6H,2-3H2,1H3
InChIKey: LFTMJBWNOFFSRW-UHFFFAOYAK
Std. InChI: InChI=1S/C4H10S2/c1-2-4(6)3-5/h4-6H,2-3H2,1H3
Std. InChIKey: LFTMJBWNOFFSRW-UHFFFAOYSA-N
Product Categories of 1,2-Butanedithiol (CAS NO.16128-68-0): Phenoles and thiophenoles;thiol Flavor
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