2-(Methylsulfanyl)-5-(prop-2-en-1-yl)pyrimidin-4(3H)-one

HCID 295804

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Basic information

CAS: 79005-59-7
Standard SMILES: C=CCc1cnc(SC)[nH]c1=O
InChIKey: JBGBJNUXJCKNBD-UHFFFAOYSA-N
Molecular formula: C8H10N2OS
Average molar mass: 182.25 g/mol
Monoisotopic mass: 182.05138412

Names & identifiers

Preferred name: 2-(Methylsulfanyl)-5-(prop-2-en-1-yl)pyrimidin-4(3H)-one
IUPAC: 2-methylsulfanyl-5-prop-2-enyl-1H-pyrimidin-6-one
English name: 5-Allyl-2-(Methylthio)pyriMidin-4(3H)-one
Molecular formula: C8H10N2OS
Molecular weight: 182.24

Names & synonyms

79005-59-7DTXSID503043232-(methylsulfanyl)-5-(prop-2-en-1-yl)pyrimidin-4(3H)-oneRefChem:254337DTXCID802554555-Allyl-2-(methylthio)pyrimidin-4(3H)-one2-methylsulfanyl-5-prop-2-enyl-1H-pyrimidin-6-oneNSC165412NSC-165412SB563654(3H)-Pyrimidinone, 2-(methylthio)-5-(2-propen-1-yl)-

Database identifiers

CAS: 79005-59-7
PubChem CID: 295804
DTXSID: DTXSID50304323

Properties

Computed structural properties

XLogP: 1.3
Topological polar surface area: 66.8 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 3
Heavy atoms: 12
Formal charge: 0
Complexity: 268

Chemistry & industry

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上海书亚医药科技有限公司400-685-9117 · [email protected]

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