6-(Benzylsulfanyl)pyrimidin-4(3h)-one

HCID 239462

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Basic information

CAS: 6329-18-6
Standard SMILES: O=c1cc(SCc2ccccc2)nc[nH]1
InChIKey: AJSVLFSNTJSZHB-UHFFFAOYSA-N
Molecular formula: C11H10N2OS
Average molar mass: 218.28 g/mol
Monoisotopic mass: 218.05138412

Names & identifiers

Preferred name: 6-(Benzylsulfanyl)pyrimidin-4(3h)-one
IUPAC: 4-benzylsulfanyl-1H-pyrimidin-6-one

Names & synonyms

6329-18-6MLS0026086306-(Benzylthio)pyrimidin-4(3H)-oneSMR0015273766-(benzylsulfanyl)pyrimidin-4(3h)-one4-benzylsulfanyl-1H-pyrimidin-6-oneHMS3091I24NSC44553cid_239462CHEMBL1732813BDBM87508DTXSID50286271

Show more names

4-(benzylthio)-1H-pyrimidin-6-oneNSC-445534-(phenylmethylthio)-1H-pyrimidin-6-one4-(phenylmethylsulfanyl)-1H-pyrimidin-6-one

Database identifiers

CAS: 6329-18-6
PubChem CID: 239462
DTXSID: DTXSID50286271
ChEMBL: CHEMBL1732813

Properties

Computed structural properties

XLogP: 1.5
Topological polar surface area: 66.8 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 3
Heavy atoms: 15
Formal charge: 0
Complexity: 293

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