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5-Iodo-2-thiophenecarbonitrile

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Name

5-Iodo-2-thiophenecarbonitrile

EINECS N/A
CAS No. 18945-81-8 Density 2.146 g/cm3
PSA 52.03000 LogP 2.22438
Solubility N/A Melting Point N/A
Formula C5H2INS Boiling Point 262.867 °C at 760 mmHg
Molecular Weight 235.048 Flash Point 112.778 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 18945-81-8 (5-Iodo-2-thiophenecarbonitrile) Hazard Symbols N/A
Synonyms

2-Cyano-5-iodothiophene;5-Iodo-2-thiophenecarbonitrile;

Article Data 2

5-Iodo-2-thiophenecarbonitrile Specification

The 5-Iodo-2-thiophenecarbonitrile with the CAS number 18945-81-8 is also called 2-Thiophenecarbonitrile,5-iodo-. The systematic name is 5-iodothiophene-2-carbonitrile. Its molecular formula is C5H2INS. This chemical is a kind of organics. It should be stored in dry and cool environment.

The properties of the 5-Iodo-2-thiophenecarbonitrile are: (1)ACD/LogP: 4.34; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 37; (6)ACD/BCF (pH 7.4): 37; (7)ACD/KOC (pH 5.5): 460; (8)ACD/KOC (pH 7.4): 460; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 52.03Å2; (13)Index of Refraction: 1.701; (14)Molar Refractivity: 42.384 cm3; (15)Molar Volume: 109.552 cm3; (16)Polarizability: 16.802×10-24cm3; (17)Surface Tension: 65.653 dyne/cm; (18)Enthalpy of Vaporization: 50.067 kJ/mol; (19)Vapour Pressure: 0.011 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: N#Cc1sc(I)cc1
(2)InChI: InChI=1/C5H2INS/c6-5-2-1-4(3-7)8-5/h1-2H
(3)InChIKey: DCTRQPYCGCNWBN-UHFFFAOYAK

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