Basic information
- CAS
922526-49-6- Standard SMILES
O=c1cc(CS)c2ccc3ccccc3c2o1- InChIKey
LJPZCHWPYVSTJY-UHFFFAOYSA-N- Molecular formula
- C14H10O2S
- Average molar mass
- 242.29 g/mol
- Monoisotopic mass
- 242.04015073
Names & identifiers
- Preferred name
- 2H-Naphtho[1,2-b]pyran-2-one, 4-(mercaptomethyl)-
- IUPAC
- 4-(sulfanylmethyl)benzo[h]chromen-2-one
Names & synonyms
922526-49-64-(Mercaptomethyl)-2H-benzo[h]chromen-2-one2H-Naphtho[1,2-b]pyran-2-one, 4-(mercaptomethyl)-DTXSID704695044-(Sulfanylmethyl)-2H-naphtho[1,2-b]pyran-2-one
Database identifiers
- CAS
922526-49-6- PubChem CID
- 11615665
- DTXSID
DTXSID70469504
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 27.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 350
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…