1(3H)-Isobenzofuranone, 3-(phenylthio)-
Basic information
- CAS
51287-54-8- Standard SMILES
O=C1OC(Sc2ccccc2)c2ccccc21- InChIKey
ZKXIHMKLOSZLPO-UHFFFAOYSA-N- Molecular formula
- C14H10O2S
- Average molar mass
- 242.29 g/mol
- Monoisotopic mass
- 242.04015073
Names & identifiers
- Preferred name
- 1(3H)-Isobenzofuranone, 3-(phenylthio)-
- IUPAC
- 3-phenylsulfanyl-3H-2-benzofuran-1-one
Names & synonyms
51287-54-81(3H)-Isobenzofuranone, 3-(phenylthio)-DTXSID60372937RefChem:211720DTXCID603239693-(phenylsulfanyl)-2-benzofuran-1(3H)-one3-(Phenylthio)isobenzofuran-1(3H)-oneSCHEMBL10750923AKOS004907548AP-323/40771287
Database identifiers
- CAS
51287-54-8- PubChem CID
- 2752811
- DTXSID
DTXSID60372937- Nikkaji
- J1.064.212D
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 51.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 286
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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