3-(3-Chlorophenyl)thiomorpholine supplier

Name
3-(3-Chlorophenyl)thiomorpholine
EINECS
CAS No. 864685-25-6
Density 1.2 g/cm³
Solubility
Melting Point
Formula C₁₀H₁₂ClNS
Boiling Point 333.7 °C at 760 mmHg
Molecular Weight 213.731
Flash Point 155.6 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms thiomorpholine, 3-(3-chlorophenyl)-;
PSA 37.33000
LogP 3.04630

3-(3-Chlorophenyl)thiomorpholine Specification

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

Product Name

3-(3-Chlorophenyl)thiomorpholine

3-(3-Chlorophenyl)thiomorpholine Specification

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