2-Chloro-4-(ethylthio)-1-iodo-benzene

HCID 67280185

Notes Reactions

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Basic information

Standard SMILES: CCSc1ccc(I)c(Cl)c1
InChIKey: VKSNRFWDQSGSJV-UHFFFAOYSA-N
Molecular formula: C8H8ClIS
Average molar mass: 298.57 g/mol

Names & identifiers

Preferred name: 2-Chloro-4-(ethylthio)-1-iodo-benzene
IUPAC: 2-chloro-4-ethylsulfanyl-1-iodobenzene

Names & synonyms

2-Chloro-4-(ethylthio)-1-iodo-benzene(3-chloro-4-iodophenyl)(ethyl)sulfane779329-49-6SCHEMBL2111936VKSNRFWDQSGSJV-UHFFFAOYSA-N2-Chloro-4-(ethylthio)-1-iodobenzeneA1-26954

Database identifiers

PubChem CID: 67280185

Properties

Computed structural properties

XLogP: 4.1
Topological polar surface area: 25.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 2
Heavy atoms: 11
Formal charge: 0
Complexity: 121

Related reactions

5 records

New reaction record

HRID 142313As productTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 1222043As reactantTraining data from https://doi.org/10.1039/C8SC04228D (5/10)

HRID 1694707As productuspto-grants-2012_04

HRID 1694708As reactantuspto-grants-2012_04

HRID 1694711As reactantuspto-grants-2012_04

Compound notes

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