Basic information
- CAS
97146-30-0- Standard SMILES
S=c1nc(-c2ccccc2)[nH]c2c1Cc1ccccc1O2- InChIKey
IRJZSFGESSYMLG-UHFFFAOYSA-N- Molecular formula
- C17H12N2OS
- Average molar mass
- 292.4 g/mol
- Monoisotopic mass
- 292.06703418
Names & identifiers
- Preferred name
- 4H-[1]Benzopyrano[2,3-d]pyrimidine-4-thione, 1,5-dihydro-2-phenyl-
- IUPAC
- 2-phenyl-1,5-dihydrochromeno[2,3-d]pyrimidine-4-thione
Names & synonyms
97146-30-02-Phenyl-1H-chromeno[2,3-d]pyrimidine-4(5H)-thione4H-[1]Benzopyrano[2,3-d]pyrimidine-4-thione, 1,5-dihydro-2-phenyl-2-phenyl-1,5-dihydrochromeno[2,3-d]pyrimidine-4-thioneChemDiv3_011133SCHEMBL10817512SCHEMBL27897622DTXSID90366687HMS1504K01AKOS001867606CCG-137873IDI1_028691
Show more names
2-phenyl-3H-chromeno[2,3-d]pyrimidine-4(5H)-thioneF1605-02372-Phenyl-1,5-dihydro-4H-[1]benzopyrano[2,3-d]pyrimidine-4-thione2-phenyl-3,5-dihydro-4H-[1]benzopyrano[2,3-d]pyrimidine-4-thione
Database identifiers
- CAS
97146-30-0- PubChem CID
- 2137396
- DTXSID
DTXSID90366687
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 65.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 505
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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