5-Iodo-2-thiophenecarbonitrile supplier

Name
5-Iodo-2-thiophenecarbonitrile
EINECS
CAS No. 18945-81-8
Article Data2
CAS DataBase
Density 2.146 g/cm³
Solubility
Melting Point
Formula C₅H₂INS
Boiling Point 262.867 °C at 760 mmHg
Molecular Weight 235.048
Flash Point 112.778 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2-Cyano-5-iodothiophene;5-Iodo-2-thiophenecarbonitrile;
PSA 52.03000
LogP 2.22438

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

Product Name

5-Iodo-2-thiophenecarbonitrile

5-Iodo-2-thiophenecarbonitrile Specification

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