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| CAS No.: | 887344-30-1 |
|---|---|
| Name: | 3-(2-CHLOROPHENYL) THIOMORPHOLINE |
| Molecular Structure: | |
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| Formula: | C10H12ClNS |
| Molecular Weight: | 213.73 |
| Synonyms: | 3-(2-Chlorophenyl)thiomorpholine; |
| Density: | 1.2 g/cm3 |
| Boiling Point: | 319 °C at 760 mmHg |
| Flash Point: | 146.7 °C |
| PSA: | 37.33000 |
| LogP: | 3.04630 |
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- Total:17 Page 1 of 1 1
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Specification
The 3-(2-Chlorophenyl)thiomorpholine with its cas register number is 887344-30-1. It also can be called as Thiomorpholine,3-(2-chlorophenyl)- and the Systematic name about this chemical is 3-(2-chlorophenyl)thiomorpholine.
Physical properties about 3-(2-Chlorophenyl)thiomorpholine are: (1)ACD/LogP: 2.45; (2)ACD/LogD (pH 5.5): 0.02; (3)ACD/LogD (pH 7.4): 1.72; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 8.04; (6)ACD/KOC (pH 5.5): 1.89; (7)ACD/KOC (pH 7.4): 96.2; (8)#H bond acceptors: 1; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 28.54Å2; (12)Index of Refraction: 1.58; (13)Molar Refractivity: 59.29 cm3; (14)Molar Volume: 178.1 cm3; (15) Polarizability: 23.5x10-24cm3; (16)Surface Tension: 43.6 dyne/cm; (17)Enthalpy of Vaporization: 56.05 kJ/mol; (18)Vapour Pressure: 0.000349 mmHg at 25°C
You can still convert the following datas into molecular structure:
(1)SMILES: Clc1ccccc1C2NCCSC2
(2)InChI: InChI=1/C10H12ClNS/c11-9-4-2-1-3-8(9)10-7-13-6-5-12-10/h1-4,10,12H,5-7H2
(3)InChIKey: UXSQOKXSAKGEKA-UHFFFAOYAN
(4)Std. InChI: InChI=1S/C10H12ClNS/c11-9-4-2-1-3-8(9)10-7-13-6-5-12-10/h1-4,10,12H,5-7H2
(5)Std. InChIKey: UXSQOKXSAKGEKA-UHFFFAOYSA-N