5-iodothiophene-2-carbonitrile

5-iodothiophene-2-carbonitrile

CAS: 18945-81-8

Formula: C5H2INS

SMILES: IC1=CC=C(S1)C#N

IUPAC: 5-iodothiophene-2-carbonitrile

InChI: InChI=1S/C5H2INS/c6-5-2-1-4(3-7)8-5/h1-2H

Composition: C (25.55%), H (0.86%), I (53.99%), N (5.96%), S (13.64%)

Molar Mass: 235.04

Atom Count: 10

Heavy Atom Count: 8

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	234.89527
Formal Charge	0
FSP3	0
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
InChIKey	DCTRQPYCGCNWBN-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	41.19
Topological Polar Surface Area	23.79
Polarizability	16.25
Ring Count	1
Rotatable Bond Count	0

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