2-(Chloromethylthio)benzo[b]thiophene

HCID 20161331
NotesReactions
Substructure searchFind similar structures

Basic information

Standard SMILES
ClCSc1cc2ccccc2s1
InChIKey
GXGMGLLDHIRKGQ-UHFFFAOYSA-N
Molecular formula
C9H7ClS2
Average molar mass
214.7 g/mol
Monoisotopic mass
213.9677703

Names & identifiers

Preferred name
2-(Chloromethylthio)benzo[b]thiophene
IUPAC
2-(chloromethylsulfanyl)-1-benzothiophene

Names & synonyms

SCHEMBL10741546GXGMGLLDHIRKGQ-UHFFFAOYSA-N2-(Chloromethylthio)benzo[b]thiophene

Database identifiers

PubChem CID
20161331

Properties

Computed structural properties

XLogP
4.5
Topological polar surface area
53.5 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
2
Heavy atoms
12

Related reactions

2 records
New reaction record

Compound notes

Loading…