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Cas Database |
| Name |
Carbonotrithioic acid,diphenyl ester |
EINECS | N/A |
| CAS No. | 2314-54-7 | Density | 1.31 g/cm3 |
| PSA | 82.69000 | LogP | 4.85590 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C13H10S3 | Boiling Point | 430.1 °C at 760 mmHg |
| Molecular Weight | 262.42 | Flash Point | 213.9 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
Phenyl trithiocarbonate;Trithiocarbonic acid diphenyl ester;NSC157932;Diphenyl trithiocarbonate;Carbonicacid, trithio-, diphenyl ester (6CI,7CI,8CI); |
Article Data | 11 |
The Carbonotrithioic acid,diphenyl ester, with the CAS registry number 2314-54-7, is also known as Phenyl trithiocarbonate. This chemical's molecular formula is C13H10S3 and molecular weight is 262.4135. Its IUPAC name is called bis(phenylsulfanyl)methanethione.
Physical properties of Carbonotrithioic acid,diphenyl ester: (1)ACD/LogP: 5.62; (2)# of Rule of 5 Violations: 1; (3)#Freely Rotating Bonds: 4; (4)Index of Refraction: 1.721; (5)Molar Refractivity: 79.23 cm3; (6)Molar Volume: 200.2 cm3; (7)Surface Tension: 65.2 dyne/cm; (8)Density: 1.31 g/cm3; (9)Flash Point: 213.9 °C; (10)Enthalpy of Vaporization: 65.9 kJ/mol; (11)Boiling Point: 430.1 °C at 760 mmHg; (12)Vapour Pressure: 3.35E-07 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC=C(C=C1)SC(=S)SC2=CC=CC=C2
(2)InChI: InChI=1S/C13H10S3/c14-13(15-11-7-3-1-4-8-11)16-12-9-5-2-6-10-12/h1-10H
(3)InChIKey: UHXNHMBEGXLRMF-UHFFFAOYSA-N
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