Basic information
- CAS
4734-86-5- Standard SMILES
O=c1c2c(sc3ccccc13)CCC2- InChIKey
YCIXDJLOGWIVSZ-UHFFFAOYSA-N- Molecular formula
- C12H10OS
- Average molar mass
- 202.27 g/mol
- Monoisotopic mass
- 202.04523611
Names & identifiers
- Preferred name
- 2,3-Dihydrocyclopenta(b)thiochromen-9(1H)-one
- IUPAC
- 2,3-dihydro-1H-cyclopenta[b]thiochromen-9-one
Names & synonyms
2,3-Dihydrocyclopenta(b)thiochromen-9(1H)-one4734-86-5NSC 82172DTXSID101971122,3-Dihydrocyclopenta[b]thiochromen-9(1H)-oneRefChem:244880DTXCID2011960398BBV25SFC2,3-Trimethylenethiochromone2,3-dihydro-1H-cyclopenta[b]thiochromen-9-oneNSC82172UNII-98BBV25SFC
Show more names
NSC-821722,3-Dihydrobenzo[b]cyclopenta[e]thiopyran-9(1H)-one4H-1-Benzothiopyran-4-one, 2,3-(1,3-propanediyl)-Benzo[b]cyclopenta[e]thiopyran-9(1H)-one, 2,3-dihydro-Cyclopenta[b][1]benzothiopyran-9(1H)-one, 2,3-dihydro-
Database identifiers
- CAS
4734-86-5- PubChem CID
- 255993
- DTXSID
DTXSID10197112- UNII
- 98BBV25SFC
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 42.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 305
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…