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208243-72-5

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Basic Information
CAS No.: 208243-72-5
Name: 1,2-Dithiolane-4-carboxylic acid, 4-methyl-
Article Data: 5
Molecular Structure:
Molecular Structure of 208243-72-5 (1,2-Dithiolane-4-carboxylic acid, 4-methyl-)
Formula: C5H8O2S2
Molecular Weight: 164.249
Synonyms: 1,2-Dithiolane-4-carboxylic acid, 4-methyl-;2-Dithiolane-4-carboxylicacid
Density: 1.387 g/cm3
Boiling Point: 305.7 °C at 760 mmHg
Flash Point: 138.7 °C
PSA: 87.90000
LogP: 1.47230
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Specification

This chemical is called 1,2-Dithiolane-4-carboxylicacid, 4-methyl-, and its systematic name is 4-methyl-1,2-dithiolane-4-carboxylic acid. With the molecular formula of C5H8O2S2, its molecular weight is 164.2458. The CAS registry number of this chemical is 208243-72-5.

Other characteristics of the 1,2-Dithiolane-4-carboxylicacid, 4-methyl- can be summarised as followings: (1)ACD/LogP: 1.52; (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): 4.15; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 2; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 87.9 Å2; (11)Index of Refraction: 1.607; (12)Molar Refractivity: 40.88 cm3; (13)Molar Volume: 118.3 cm3; (14)Polarizability: 16.2×10-24cm3; (15)Surface Tension: 56.1 dyne/cm; (16)Density: 1.387 g/cm3; (17)Flash Point: 138.7 °C; (18)Enthalpy of Vaporization: 60.07 kJ/mol; (19)Boiling Point: 305.7 °C at 760 mmHg; (20)Vapour Pressure: 0.000184 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: OC(=O)C1(C)CSSC1
2.InChI: InChI=1/C5H8O2S2/c1-5(4(6)7)2-8-9-3-5/h2-3H2,1H3,(H,6,7)
3.InChIKey: CDYNUBURGFMPLE-UHFFFAOYAM