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CAS No.: | 864685-25-6 |
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Name: | 3-(3-Chlorophenyl)thiomorpholine |
Molecular Structure: | |
Formula: | C10H12ClNS |
Molecular Weight: | 213.731 |
Synonyms: | thiomorpholine, 3-(3-chlorophenyl)-; |
Density: | 1.2 g/cm3 |
Boiling Point: | 333.7 °C at 760 mmHg |
Flash Point: | 155.6 °C |
PSA: | 37.33000 |
LogP: | 3.04630 |
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The 3-(3-Chlorophenyl)thiomorpholine, with the CAS registry number 864685-25-6, is also called thiomorpholine, 3-(3-chlorophenyl)-. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C10H12ClNS.
The characteristics of 3-(3-Chlorophenyl)thiomorpholine are as followings: (1)ACD/LogP: 2.45; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 7.4): 1.65; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 6.73; (6)ACD/KOC (pH 5.5): 1.6; (7)ACD/KOC (pH 7.4): 80.47; (8)#H bond acceptors: 1; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 37.33 Å2; (12)Index of Refraction: 1.58; (13)Molar Refractivity: 59.29 cm3; (14)Molar Volume: 178.1 cm3; (15)Polarizability: 23.5×10-24cm3; (16)Surface Tension: 43.6 dyne/cm; (17)Density: 1.2 g/cm3; (18)Flash Point: 155.6 °C; (19)Enthalpy of Vaporization: 57.66 kJ/mol; (20)Boiling Point: 333.7 °C at 760 mmHg; (21)Vapour Pressure: 0.000134 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Clc1cc(ccc1)C2CSCCN2
(2)InChI: InChI=1/C10H12ClNS/c11-9-3-1-2-8(6-9)10-7-13-5-4-12-10/h1-3,6,10,12H,4-5,7H2
(3)InChIKey: VWWOSKABRMUGCB-UHFFFAOYAV