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Basic Information
CAS No.: 2765-59-5
Name: 2-chloro-10-(3-chloropropyl)-10H-phenothiazine
Article Data: 28
Molecular Structure:
Molecular Structure of 2765-59-5 (2-chloro-10-(3-chloropropyl)-10H-phenothiazine)
Formula: C15H13Cl2NS
Molecular Weight: 310.247
Synonyms: Phenothiazine,2-chloro-10-(3-chloropropyl)- (6CI,7CI,8CI);2-Chloro-10-(3-chloropropyl)phenothiazine;2-chloro-10-(3-chloropropyl)-10H-phenothiazine;2-chloro-10-(3-chloropropyl)phenothiazine;
EINECS: 220-438-8
Density: 1.325 g/cm3
Boiling Point: 454.9 °C at 760 mmHg
Flash Point: 228.9 °C
PSA: 28.54000
LogP: 5.63660
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Specification

The 10H-Phenothiazine,2-chloro-10-(3-chloropropyl)-, with the CAS registry number 2765-59-5 and EINECS registry number 220-438-8, has the systematic name of 2-chloro-10-(3-chloropropyl)-10H-phenothiazine. And the molecular formula of this chemical is .

The physical properties of 10H-Phenothiazine,2-chloro-10-(3-chloropropyl)- are as following: (1)ACD/LogP: 5.96; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.96; (4)ACD/LogD (pH 7.4): 5.96; (5)ACD/BCF (pH 5.5): 20005.39; (6)ACD/BCF (pH 7.4): 20005.39; (7)ACD/KOC (pH 5.5): 41720.31; (8)ACD/KOC (pH 7.4): 41720.31; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 28.54 Å2; (13)Index of Refraction: 1.642; (14)Molar Refractivity: 84.61 cm3; (15)Molar Volume: 234 cm3; (16)Polarizability: 33.54×10-24cm3; (17)Surface Tension: 49 dyne/cm; (18)Density: 1.325 g/cm3; (19)Flash Point: 228.9 °C; (20)Enthalpy of Vaporization: 71.46 kJ/mol; (21)Boiling Point: 454.9 °C at 760 mmHg; (22)Vapour Pressure: 1.84E-08 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc2cc1N(c3c(Sc1cc2)cccc3)CCCCl
(2)InChI: InChI=1/C15H13Cl2NS/c16-8-3-9-18-12-4-1-2-5-14(12)19-15-7-6-11(17)10-13(15)18/h1-2,4-7,10H,3,8-9H2
(3)InChIKey: SGWITRIKWQUYGZ-UHFFFAOYAE