1-iodo-2-isothiocyanatobenzene

1-iodo-2-isothiocyanatobenzene

CAS: 98041-44-2

Formula: C7H4INS

SMILES: IC1=CC=CC=C1N=C=S

IUPAC: 1-iodo-2-isothiocyanatobenzene

InChI: InChI=1S/C7H4INS/c8-6-3-1-2-4-7(6)9-5-10/h1-4H

Composition: C (32.20%), H (1.54%), I (48.61%), N (5.37%), S (12.28%)

Molar Mass: 261.08

Atom Count: 14

Heavy Atom Count: 10

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	260.91092
Formal Charge	0
FSP3	0
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
InChIKey	ODOTYLQYSDVPMA-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	56.48
Topological Polar Surface Area	12.36
Polarizability	21.1
Ring Count	1
Rotatable Bond Count	1

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