S,S-(2,3-Dihydroxy-1,4-butanediyl) ester ethanethioic acid supplier

Name
Ethanethioic acid, S,S-(2,3-dihydroxy-1,4-butanediyl) ester
EINECS
CAS No. 37180-64-6
Density 1.331 g/cm³
Solubility
Melting Point
Formula C₈H₁₄O₄S₂
Boiling Point 384.833 °C at 760 mmHg
Molecular Weight 238.32
Flash Point 186.541 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms S,S-(2,3-Dihydroxy-1,4-butanediyl) ester ethanethioic acid;Ethanethioic acid S,S'-(2,3-dihydroxy-1,4-butanediyl) ester;
PSA 123.10000
LogP 0.43600

S,S-(2,3-Dihydroxy-1,4-butanediyl) ester ethanethioic acid Specification

The CAS register number of S,S-(2,3-Dihydroxy-1,4-butanediyl) ester ethanethioic acid is 37180-64-6. It also can be called as Ethanethioic acid S,S'-(2,3-dihydroxy-1,4-butanediyl) ester and the systematic name about this chemical is O-[(2S,3S)-4-ethanethioyloxy-2,3-dihydroxy-butyl] ethanethioate. The molecular formula about this chemical is C₈H₁₄O₄S₂and the molecular weight is 238.32.

Physical properties about S,S-(2,3-Dihydroxy-1,4-butanediyl) ester ethanethioic acid are: (1)ACD/LogP: 0.69; (2)ACD/LogD (pH 5.5): 0.689; (3)ACD/LogD (pH 7.4): 0.689; (4)ACD/BCF (pH 5.5): 1.967; (5)ACD/BCF (pH 7.4): 1.967; (6)ACD/KOC (pH 5.5): 56.49; (7)ACD/KOC (pH 7.4): 56.489; (8)#H bond acceptors: 4; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 9; (11)Polar Surface Area: 123.1Å²; (12)Index of Refraction: 1.587; (13)Molar Refractivity: 60.168 cm³; (14)Molar Volume: 179.056 cm³; (15)Polarizability: 23.852x10^-24cm³; (16)Surface Tension: 66.377 dyne/cm; (17)Enthalpy of Vaporization: 73.273 kJ/mol; (18)Boiling Point: 384.833 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: CC(=S)OC[C@@H]([C@H](COC(=S)C)O)O
(2)InChI: InChI=1/C8H14O4S2/c1-5(13)11-3-7(9)8(10)4-12-6(2)14/h7-10H,3-4H2,1-2H3/t7-,8-/m0/s1
(3)InChIKey: HPGDXQHSTBVGQD-YUMQZZPRBH
(4)Std. InChI: InChI=1S/C8H14O4S2/c1-5(13)11-3-7(9)8(10)4-12-6(2)14/h7-10H,3-4H2,1-2H3/t7-,8-/m0/s1
(5)Std. InChIKey: HPGDXQHSTBVGQD-YUMQZZPRSA-N

Product Name

Ethanethioic acid, S,S-(2,3-dihydroxy-1,4-butanediyl) ester

S,S-(2,3-Dihydroxy-1,4-butanediyl) ester ethanethioic acid Specification

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