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19404-23-0

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Basic Information
CAS No.: 19404-23-0
Name: 3-Methyl-benzo[b]thiophene-5-carbonitrile
Article Data: 3
Molecular Structure:
Molecular Structure of 19404-23-0 (3-Methyl-benzo[b]thiophene-5-carbonitrile)
Formula: C10H7NS
Molecular Weight: 173.238
Synonyms: LogP
Density: 1.234 g/cm3
Boiling Point: 327.548 °C at 760 mmHg
Flash Point: 151.896 °C
PSA: 52.03000
LogP: 3.08138
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Specification

The CAS registry number of 3-Methyl-benzo[b]thiophene-5-carbonitrile is 19404-23-0.This chemical's molecular formula is C10H7NS and molecular weight is 173.2343.

Physical properties about 3-Methyl-benzo[b]thiophene-5-carbonitrile are: (1)ACD/LogP: 3.07; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 1; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 0; (6)Polar Surface Area: 52.03 Å2; (7)Index of Refraction: 1.657; (8)Molar Refractivity: 51.642 cm3; (9)Molar Volume: 140.396 cm3; (10)Polarizability: 20.472×10-24 cm3; (11)Surface Tension: 54.273 dyne/cm; (12)Density: 1.234 g/cm3; (13)Flash Point: 151.896 °C; (14)Enthalpy of Vaporization: 56.986 kJ/mol; (15)Boiling Point: 327.548 °C at 760 mmHg; (16)Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: N#Cc1cc2c(cc1)scc2C
(2) InChI: InChI=1/C10H7NS/c1-7-6-12-10-3-2-8(5-11)4-9(7)10/h2-4,6H,1H3
(3) InChIKey: ZTQCBMORZGYXEV-UHFFFAOYAA