Basic information
- CAS
5465-04-3- Standard SMILES
S=c1cc(-c2ccccc2)oc2ccccc12- InChIKey
BWAGQNPYTNMEJP-UHFFFAOYSA-N- Molecular formula
- C15H10OS
- Average molar mass
- 238.31 g/mol
- Monoisotopic mass
- 238.04523611
Names & identifiers
- Preferred name
- 2-Phenyl-1-benzopyran-4(4H)-thione
- IUPAC
- 2-phenylchromene-4-thione
- English name
- 2-Phenyl-4H-1-benzopyran-4-thione
- Molecular weight
- 0
Names & synonyms
5465-04-32-Phenyl-4H-1-benzopyran-4-thione4-thioflavone2-phenyl-4h-chromene-4-thione2-Phenyl-1-benzopyran-4(4H)-thionePS8YPA4M7J2-phenylchromene-4-thioneNSC-26743NSC26743Flavone, 4-thio-Maybridge3_004338UNII-PS8YPA4M7J
Show more names
CHEMBL177698SCHEMBL26661230DTXSID50203105BWAGQNPYTNMEJP-UHFFFAOYSA-NHMS1443F04EINECS 226-765-2CCG-53449NSC 26743
Database identifiers
- CAS
5465-04-3- PubChem CID
- 79592
- DTXSID
DTXSID50203105- ChEMBL
CHEMBL177698- UNII
- PS8YPA4M7J
- EC Number
- 226-765-2
- Nikkaji
- J210.533K
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 41.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 328
Physicochemical properties
- FDA UNII
- 8 YPA4M7J · PS8YPA4M7J
Chemistry & industry
Suppliers1 total
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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