Compound C7H4INS structure

Compound C7H4INS

1-iodo-4-isothiocyanatobenzene

CAS: 2059-76-9
Molecular Formula C7H4INS
Molecular Weight 261.08 g/mol
LogP 4.2
Topological Polar Surface Area 44.5 A2
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 2
Rotatable Bonds 1
Exact Mass 260.91092
Heavy Atoms 10
Complexity 146.0

Chemical Identifiers

CAS Number 2059-76-9
SMILES C1=CC(=CC=C1N=C=S)I
InChIKey SNLGBRZZFRSXHA-UHFFFAOYSA-N

📖 Product Overview

Compound C7H4INS (CAS: 2059-76-9) is a chemical compound with molecular formula C7H4INS and molecular weight 261.08 g/mol. Its IUPAC systematic name is 1-iodo-4-isothiocyanatobenzene. LogP 4.2 Topological Polar Surface Area 44.5 A2 Hydrogen Bond Donors 0 Hydrogen Bond Acceptors 2 Rotatable Bonds 1 Exact Mass 260.91092 Heavy Atoms 10 Complexity 146.0 InChI Key: SNLGBRZZFRSXHA-UHFFFAOYSA-N. SMILES: C1=CC(=CC=C1N=C=S)I.

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