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Cas Database

Name	3-Methyl-benzo[b]thiophene-5-carbonitrile	EINECS	N/A
CAS No.	19404-23-0	Density	1.234 g/cm³
PSA	52.03000	LogP	3.08138
Solubility	N/A	Melting Point	N/A
Formula	C₁₀H₇NS	Boiling Point	327.548 °C at 760 mmHg
Molecular Weight	173.238	Flash Point	151.896 °C
Transport Information	N/A	Appearance	N/A
Safety		Risk Codes	N/A
Molecular Structure		Hazard Symbols	N/A
Synonyms	LogP	Article Data	3

3-Methyl-benzo[b]thiophene-5-carbonitrile 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

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