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7634-42-6

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Basic Information
CAS No.: 7634-42-6
Name: 1,4-dimercaptobutane-2,3-diol
Article Data: 12
Molecular Structure:
Molecular Structure of 7634-42-6 (1,4-dimercaptobutane-2,3-diol)
Formula: C4H10O2S2
Molecular Weight: 154.254
Synonyms: 1,4-Dimercapto-2,3-butanediol;(±)-1,4-Dimercapto-2,3-butanediol;1,4-Bissulfanylbutane-2,3-diol;1,4-Disulfanylbutane-2,3-diol;
EINECS: 231-563-2
Density: 1.302 g/cm3
Melting Point: 40-43 °C
Boiling Point: 364.5 °C at 760 mmHg
Flash Point: 174.2 °C
PSA: 118.06000
LogP: -0.43220
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Specification

The 2,3-Butanediol,1,4-dimercapto-, with the CAS registry number 7634-42-6, is also known as 1,4-Bissulfanylbutane-2,3-diol. Its EINECS number is 231-563-2. This chemical's molecular formula is C4H10O2S2 and molecular weight is 154.25. What's more, its systematic name is 1,4-bis(sulfanyl)butane-2,3-diol.

Physical properties of 2,3-Butanediol,1,4-dimercapto- are: (1)ACD/LogP: 0.07; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.07; (4)ACD/LogD (pH 7.4): 0.06; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 25.89; (8)ACD/KOC (pH 7.4): 25.59; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 69.06 Å2; (13)Index of Refraction: 1.579; (14)Molar Refractivity: 39.36 cm3; (15)Molar Volume: 118.4 cm3; (16)Polarizability: 15.6×10-24cm3; (17)Surface Tension: 55.5 dyne/cm; (18)Density: 1.302 g/cm3; (19)Flash Point: 174.2 °C; (20)Enthalpy of Vaporization: 70.67 kJ/mol; (21)Boiling Point: 364.5 °C at 760 mmHg; (22)Vapour Pressure: 8.68E-07 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C(C(C(CS)O)O)S
(2)InChI: InChI=1S/C4H10O2S2/c5-3(1-7)4(6)2-8/h3-8H,1-2H2
(3)InChIKey: VHJLVAABSRFDPM-UHFFFAOYSA-N