Methyl4-(chloromethylthio)benzoate

HCID 20161330
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Basic information

Standard SMILES
COC(=O)c1ccc(SCCl)cc1
InChIKey
DYRYLXUDWQRCGX-UHFFFAOYSA-N
Molecular formula
C9H9ClO2S
Average molar mass
216.68 g/mol
Monoisotopic mass
216.0011784

Names & identifiers

Preferred name
Methyl4-(chloromethylthio)benzoate
IUPAC
methyl 4-(chloromethylsulfanyl)benzoate

Names & synonyms

SCHEMBL10737651DYRYLXUDWQRCGX-UHFFFAOYSA-Nmethyl4-(chloromethylthio)benzoatemethyl 4-(chloromethylthio)benzoate

Database identifiers

PubChem CID
20161330

Properties

Computed structural properties

XLogP
3.5
Topological polar surface area
51.6 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
4
Heavy atoms
13

Related reactions

3 records
New reaction record

Compound notes

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