Basic information
- CAS
51068-11-2- Standard SMILES
O=c1ccn2c(n1)SC(c1ccccc1)C2- InChIKey
QFKQAYHUYGWWNA-UHFFFAOYSA-N- Molecular formula
- C12H10N2OS
- Average molar mass
- 230.29 g/mol
- Monoisotopic mass
- 230.05138412
Names & identifiers
- Preferred name
- 8-Phenyl-7-thia-1,5-diazabicyclo[4.3.0]nona-2,5-dien-4-one
- IUPAC
- 2-phenyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-7-one
- English name
- 8-phenyl-7-thia-1,5-diazabicyclo[4.3.0]nona-2,5-dien-4-one
- Molecular formula
- C12H10N2OS
- Molecular weight
- 230.29
Names & synonyms
MLS00311569351068-11-2NSC295404CHEMBL2138082DTXSID30315553NSC-295404SMR001831264DB-2844012-Phenyl-2,3-dihydro-7H-[1,3]thiazolo[3,2-a]pyrimidin-7-one8-PHENYL -7-THIA-1,5-DIAZABICYCLO[4.3.0]NONA-2,5-DIEN-4-ONE7H-Thiazolo[3,2-a]pyrimidin-7-one, 2,3-dihydro-2-phenyl-8-phenyl-7-thia-1,5-diazabicyclo[4.3.0]nona-2,5-dien-4-one
Database identifiers
- CAS
51068-11-2- PubChem CID
- 325852
- DTXSID
DTXSID30315553- ChEMBL
CHEMBL2138082
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 58 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 358
Chemistry & industry
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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