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1H-Indole,5-chloro-3-(phenylthio)-

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Name

1H-Indole,5-chloro-3-(phenylthio)-

EINECS
CAS No. 227803-35-2 Density 1.37 g/cm3
Solubility Melting Point
Formula C14H10ClNS Boiling Point 452.8 °C at 760 mmHg
Molecular Weight 259.75 Flash Point 227.7 °C
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Safety Risk Codes
Molecular Structure Molecular Structure of 227803-35-2 (1H-Indole,5-chloro-3-(phenylthio)-) Hazard Symbols
Synonyms

5-Chloro-3-(phenylthio)-indole;

 

1H-Indole,5-chloro-3-(phenylthio)- 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

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