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40252-80-0

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Basic Information
CAS No.: 40252-80-0
Name: Propanoic acid,3,3'-[1,2-ethanediylbis(thio)]bis-
Molecular Structure:
Molecular Structure of 40252-80-0 (Propanoic acid,3,3'-[1,2-ethanediylbis(thio)]bis-)
Formula: C8H14O4S2
Molecular Weight: 238.3244
Synonyms: Propionicacid, 3,3'-(ethylenedithio)di- (7CI);3,6-Dithiaoctane-1,8-dicarboxylic acid;4,7-Dithiadecanedioic acid;NSC 215743;
Density: 1.34 g/cm3
Boiling Point: 487 °C at 760 mmHg
Flash Point: 248.4 °C
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Specification

The CAS registry number of Propanoic acid,3,3'-[1,2-ethanediylbis(thio)]bis- is 40252-80-0. This chemical is also named as 3,3'-(Ethane-1,2-diyldisulfanediyl)dipropanoic acid. In addition, its molecular formula is C8H14O4S2 and molecular weight is 238.3244. Its IUPAC name is called 3-[2-(2-carboxyethylsulfanyl)ethylsulfanyl]propanoic acid.

Physical properties about Propanoic acid,3,3'-[1,2-ethanediylbis(thio)]bis- are: (1)ACD/LogP: 1.03; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 4; (8)#H bond donors: 2; (9)#Freely Rotating Bonds: 9; (10)Index of Refraction: 1.568; (11)Molar Refractivity: 58.23 cm3; (12)Molar Volume: 177.7 cm3; (13)Surface Tension: 60.2 dyne/cm; (14)Density: 1.34 g/cm3; (15)Flash Point: 248.4 °C; (16)Enthalpy of Vaporization: 82.45 kJ/mol; (17)Boiling Point: 487 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)CCSCCSCCC(=O)O
(2)InChI: InChI=1/C8H14O4S2/c9-7(10)1-3-13-5-6-14-4-2-8(11)12/h1-6H2,(H,9,10)(H,11,12)
(3)InChIKey: GNMCEWMUFTZBKH-UHFFFAOYAD