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Cas Database |
| Name |
Benzoicacid, 4,4'-dithiobis-, 1,1'-dimethyl ester |
EINECS | N/A |
| CAS No. | 35190-68-2 | Density | 1.34 g/cm3 |
| PSA | 103.20000 | LogP | 4.05920 |
| Solubility | N/A | Melting Point |
116-119°C |
| Formula | C16H14O4S2 | Boiling Point | 458.1 °C at 760 mmHg |
| Molecular Weight | 334.417 | Flash Point | 224.9 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
Benzoicacid, 4,4'-dithiobis-, dimethyl ester (9CI);Benzoic acid, 4,4'-dithiodi-,dimethyl ester (6CI,7CI);Bis(4-carbomethoxyphenyl) disulfide;Dimethyl 4,4'-disulfanediyldibenzoate;Bis-p-methoxycarbonyl-phenyl disulfide; |
Article Data | 18 |
Benzoicacid, 4,4'-dithiobis-, 1,1'-dimethyl ester Specification
The Benzoicacid, 4,4'-dithiobis-, 1,1'-dimethyl ester, with the CAS registry number 35190-68-2, is also known as Bis(4-carbomethoxyphenyl) disulfide. This chemical's molecular formula is C16H14O4S2 and molecular weight is 334.42. What's more, its systematic name is Dimethyl 4,4'-disulfanediyldibenzoate.
Physical properties of Benzoicacid, 4,4'-dithiobis-, 1,1'-dimethyl ester are: (1)ACD/LogP: 5.08; (2)# of Rule of 5 Violations: 1; (3)#H bond acceptors: 4; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 7; (6)Polar Surface Area: 103.2 Å2; (7)Index of Refraction: 1.639; (8)Molar Refractivity: 89.71 cm3; (9)Molar Volume: 249.2 cm3; (10)Polarizability: 35.56×10-24 cm3; (11)Surface Tension: 58.7 dyne/cm; (12)Density: 1.34 g/cm3; (13)Flash Point: 224.9 °C; (14)Enthalpy of Vaporization: 71.84 kJ/mol; (15)Boiling Point: 458.1 °C at 760 mmHg; (16)Vapour Pressure: 1.41E-08 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC)c2ccc(SSc1ccc(cc1)C(=O)OC)cc2
(2)InChI: InChI=1/C16H14O4S2/c1-19-15(17)11-3-7-13(8-4-11)21-22-14-9-5-12(6-10-14)16(18)20-2/h3-10H,1-2H3
(3)InChIKey: VGCZYLQMVYJBNY-UHFFFAOYSA-N
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