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227803-35-2

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Basic Information
CAS No.: 227803-35-2
Name: 5-CHLORO-3-(PHENYLTHIO)-INDOLE
Article Data: 13
Molecular Structure:
Molecular Structure of 227803-35-2 (5-CHLORO-3-(PHENYLTHIO)-INDOLE)
Formula: C14H10ClNS
Molecular Weight: 259.759
Synonyms: 5-Chloro-3-(phenylthio)-indole;
Density: 1.37 g/cm3
Melting Point: 112.5-113.5 °C
Boiling Point: 452.8 °C at 760 mmHg
Flash Point: 227.7 °C
PSA: 41.09000
LogP: 4.97250
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Specification

The 1H-Indole,5-chloro-3-(phenylthio)-, with the CAS registry number 227803-35-2, is also known as 5-Chloro-3-(phenylthio)-indole. This chemical's molecular formula is C14H10ClNS and molecular weight is 259.7539. Its systematic name is called 5-chloro-3-(phenylsulfanyl)-1H-indole.

Physical properties of 1H-Indole,5-chloro-3-(phenylthio)-: (1)ACD/LogP: 5.16; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.16; (4)ACD/LogD (pH 7.4): 5.16; (5)ACD/BCF (pH 5.5): 4909.19; (6)ACD/BCF (pH 7.4): 4909.19; (7)ACD/KOC (pH 5.5): 15262.23; (8)ACD/KOC (pH 7.4): 15262.23; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Index of Refraction: 1.734; (13)Molar Refractivity: 75.78 cm3; (14)Molar Volume: 189 cm3; (15)Surface Tension: 63.2 dyne/cm; (16)Density: 1.37 g/cm3; (17)Flash Point: 227.7 °C; (18)Enthalpy of Vaporization: 68.48 kJ/mol; (19)Boiling Point: 452.8 °C at 760 mmHg; (20)Vapour Pressure: 5.83E-08 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc1cc3c(cc1)ncc3Sc2ccccc2
(2)InChI: InChI=1/C14H10ClNS/c15-10-6-7-13-12(8-10)14(9-16-13)17-11-4-2-1-3-5-11/h1-9,16H
(3)InChIKey: CCHHXGFVRASIEZ-UHFFFAOYAI