4-Benzylthio-5-methoxycarbonyl-2,6-dichloropyrimidine

HCID 17848264
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Basic information

Standard SMILES
COC(=O)c1c(Cl)nc(Cl)nc1SCc1ccccc1
InChIKey
GLVNWYLAJDNOFS-UHFFFAOYSA-N
Molecular formula
C13H10Cl2N2O2S
Average molar mass
329.2 g/mol
Monoisotopic mass
327.9840041

Names & identifiers

Preferred name
4-Benzylthio-5-methoxycarbonyl-2,6-dichloropyrimidine
IUPAC
methyl 4-benzylsulfanyl-2,6-dichloropyrimidine-5-carboxylate

Names & synonyms

4-benzylthio-5-methoxycarbonyl-2,6-dichloropyrimidineSCHEMBL4974766GLVNWYLAJDNOFS-UHFFFAOYSA-N

Database identifiers

PubChem CID
17848264

Properties

Computed structural properties

XLogP
4.3
Topological polar surface area
77.4 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
5
Rotatable bonds
5
Heavy atoms
20

Related reactions

3 records
New reaction record

Compound notes

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