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| CAS No.: | 2280-49-1 |
|---|---|
| Name: | N-Phenyl-N-((trichloromethyl)thio)benzenesulfonamide |
| Article Data: | 4 |
| Molecular Structure: | |
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| Formula: | C13H10Cl3NO2S2 |
| Molecular Weight: | 382.719 |
| Synonyms: | Benzenesulfonanilide,N-[(trichloromethyl)thio]- (7CI,8CI);N-[(Trichloromethyl)thio]-N-phenylbenzenesulfonamide;Vulcalent E;Vulkalent E; |
| EINECS: | 218-915-0 |
| Density: | 1.56g/cm3 |
| Boiling Point: | 421.7 °C at 760 mmHg |
| Flash Point: | 208.8 °C |
| Solubility: | 50μg/L at 20℃ |
| PSA: | 71.06000 |
| LogP: | 5.93860 |
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Specification
The N-Phenyl-N-((trichloromethyl)thio)benzenesulfonamide with the CAS number 2280-49-1 is also called Benzenesulfonamide,N-phenyl-N-[(trichloromethyl)thio]-. Its EINECS registry number is 218-915-0. The molecular formula is C13H10Cl3NO2S2. The product category is Organics.
The properties of the chemical are: (1)ACD/LogP: 5.48; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.48; (4)ACD/LogD (pH 7.4): 5.48; (5)ACD/BCF (pH 5.5): 8666.75; (6)ACD/BCF (pH 7.4): 8666.75; (7)ACD/KOC (pH 5.5): 22924.91; (8)ACD/KOC (pH 7.4): 22924.91; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 71.06 Å2; (13)Index of Refraction: 1.667; (14)Molar Refractivity: 91.31 cm3; (15)Molar Volume: 245.2 cm3; (16)Polarizability: 36.2×10-24cm3; (17)Surface Tension: 62.2 dyne/cm; (18)Enthalpy of Vaporization: 67.57 kJ/mol; (19)Vapour Pressure: 2.56×10-7 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=S(=O)(N(SC(Cl)(Cl)Cl)c1ccccc1)c2ccccc2
(2)InChI: InChI=1/C13H10Cl3NO2S2/c14-13(15,16)20-17(11-7-3-1-4-8-11)21(18,19)12-9-5-2-6-10-12/h1-10H
(3)InChIKey: CAXJFBOSFXRPOJ-UHFFFAOYAU