Sbb042914
Basic information
- CAS
53074-16-1- Standard SMILES
CSc1nc2sc(C)c(C)c2c(=O)[nH]1- InChIKey
QPKFZYCUJGIWAW-UHFFFAOYSA-N- Molecular formula
- C9H10N2OS2
- Average molar mass
- 226.3 g/mol
- Monoisotopic mass
- 226.02345529
Names & identifiers
- Preferred name
- Sbb042914
- IUPAC
- 5,6-dimethyl-2-methylsulfanyl-3H-thieno[2,3-d]pyrimidin-4-one
- English name
- 5,6-dimethyl-2-(methylsulfanyl)thieno[2,3-d]pyrimidin-4(3H)-one
- Molecular formula
- C9H10N2OS2
- Molecular weight
- 226.3185
Names & synonyms
53074-16-1SBB042914DTXSID50358503RefChem:379962DTXCID303095585,6-dimethyl-2-(methylsulfanyl)thieno[2,3-d]pyrimidin-4(3H)-one5,6-dimethyl-2-methylsulfanyl-3H-thieno[2,3-d]pyrimidin-4-one5,6-dimethyl-2-(methylsulfanyl)-3H,4H-thieno[2,3-d]pyrimidin-4-oneSCHEMBL1101927AKOS000269225AI-060/31465003Z54068645
Show more names
2-methylthio-5,6-dimethylthieno[2,3-d]pyrimidin-4-one5,6-dimethyl-2-methylthio-3-hydrothiopheno[2,3-d]pyrimidin-4-one
Database identifiers
- CAS
53074-16-1- PubChem CID
- 900952
- DTXSID
DTXSID50358503- Nikkaji
- J814.175D
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 95 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 293
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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