Basic information
- CAS
6204-00-8- Standard SMILES
C=CCn1ccc(=O)nc1SC- InChIKey
XOGXTDSAGARRIS-UHFFFAOYSA-N- Molecular formula
- C8H10N2OS
- Average molar mass
- 182.25 g/mol
- Monoisotopic mass
- 182.05138412
Names & identifiers
- Preferred name
- Mls002694862
- IUPAC
- 2-methylsulfanyl-1-prop-2-enylpyrimidin-4-one
Names & synonyms
6204-00-8MLS002694862DTXSID00293339RefChem:357206DTXCID702444791-Allyl-2-(methylthio)pyrimidin-4(1H)-one2-(methylsulfanyl)-1-(prop-2-en-1-yl)pyrimidin-4(1h)-oneNSC88805NCIOpen2_001491CHEMBL3187112HMS3085B24NSC-88805
Show more names
SMR001560778
Database identifiers
- CAS
6204-00-8- PubChem CID
- 259153
- DTXSID
DTXSID00293339- ChEMBL
CHEMBL3187112
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 58 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 258
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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