1,3-Dithiole-2-thione,4-(3,4-dihydroxyphenyl)- supplier

Name
4-(3,4-DIHYDROXYPHENYL)-1,3-DITHIOL-2-THIONE
EINECS
CAS No. 153275-67-3
Density 1.71 g/cm³
Solubility
Melting Point
Formula C₉H₆O₂S₃
Boiling Point 496.2 °C at 760 mmHg
Molecular Weight 242.3377
Flash Point 253.9 °C
Transport Information
Appearance
Safety
Risk Codes Xi:;
Molecular Structure
Hazard Symbols Xi
Synonyms 4-(3,4-DIHYDROXYPHENYL)-1,3-DITHIOL-2-THIONE
PSA 129.03000
LogP 3.61730

1,3-Dithiole-2-thione,4-(3,4-dihydroxyphenyl)- Specification

The CAS registry number of 1,3-Dithiole-2-thione,4-(3,4-dihydroxyphenyl)- is 153275-67-3. This chemical's molecular formula is C₉H₆O₂S₃ and molecular weight is 242.3377. What's more, its systematic name is 4-(3,4-Dihydroxyphenyl)-1,3-dithiole-2-thione.

Physical properties about 1,3-Dithiole-2-thione,4-(3,4-dihydroxyphenyl)- are: (1)ACD/LogP: 3.34; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.34; (4)ACD/LogD (pH 7.4): 3.33; (5)#H bond acceptors: 2; (6)#H bond donors: 2; (7)#Freely Rotating Bonds: 3; (8)Polar Surface Area: 123.15 Å²; (9)Index of Refraction: 1.874; (10)Molar Refractivity: 64.48 cm³; (11)Molar Volume: 141.4 cm³; (12)Polarizability: 25.56×10^-24 cm³; (13)Surface Tension: 112 dyne/cm; (14) Density: 1.71 g/cm³; (15)Flash Point: 253.9 °C; (16)Enthalpy of Vaporization: 79.29 kJ/mol; (17)Boiling Point: 496.2 °C at 760 mmHg; (18)Vapour Pressure: 1.81E-10 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: S=C1S\C=C(/S1)c2cc(O)c(O)cc2
(2) InChI: InChI=1/C9H6O2S3/c10-6-2-1-5(3-7(6)11)8-4-13-9(12)14-8/h1-4,10-11H
(3) InChIKey: MJXRUHBFTLWBNR-UHFFFAOYAM

Product Name

4-(3,4-DIHYDROXYPHENYL)-1,3-DITHIOL-2-THIONE

1,3-Dithiole-2-thione,4-(3,4-dihydroxyphenyl)- Specification

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