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