ST081857
Basic information
- CAS
179041-02-2- Standard SMILES
C=CCSc1nc2sc(C)c(C)c2c(=O)[nH]1- InChIKey
JCDAAUZHHDTSTG-UHFFFAOYSA-N- Molecular formula
- C11H12N2OS2
- Average molar mass
- 252.4 g/mol
- Monoisotopic mass
- 252.03910536
Names & identifiers
- Preferred name
- ST081857
- IUPAC
- 5,6-dimethyl-2-prop-2-enylsulfanyl-3H-thieno[2,3-d]pyrimidin-4-one
Names & synonyms
179041-02-2ST081857DTXSID00347301RefChem:381454DTXCID902983735,6-Dimethyl-2-[(prop-2-en-1-yl)sulfanyl]thieno[2,3-d]pyrimidin-4(3H)-one5,6-dimethyl-2-prop-2-enylthio-3-hydrothiopheno[2,3-d]pyrimidin-4-one5,6-dimethyl-2-prop-2-enylsulfanyl-3H-thieno[2,3-d]pyrimidin-4-oneHMS2256C19SMR000017373Cambridge id 5807158MLS000100624
Show more names
IFLab1_000610CHEMBL1595297JCDAAUZHHDTSTG-UHFFFAOYSA-NHMS1413L16SBB042915STK788487AKOS000269226IDI1_008829
Database identifiers
- CAS
179041-02-2- PubChem CID
- 619902
- DTXSID
DTXSID00347301- ChEMBL
CHEMBL1595297- Nikkaji
- J1.413.525A
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 95 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 343
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Related reactions
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Compound notes
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