4H-Cyclopenta[c]thiophene-4-one,3-dichloro-5,6-dihydro-, hydrochloride
Basic information
- CAS
147521-38-8- Standard SMILES
Cl.NC1CC(=O)c2c(Cl)sc(Cl)c21- InChIKey
QUFODXVQEAEWKE-UHFFFAOYSA-N- Molecular formula
- C7H6Cl3NOS
- Average molar mass
- 258.6 g/mol
- Monoisotopic mass
- 256.923568
Names & identifiers
- Preferred name
- 4H-Cyclopenta[c]thiophene-4-one,3-dichloro-5,6-dihydro-, hydrochloride
- IUPAC
- 6-amino-1,3-dichloro-5,6-dihydrocyclopenta[c]thiophen-4-one;hydrochloride
Names & synonyms
NSC662120CHEMBL19764954H-Cyclopenta[c]thiophene-4-one,3-dichloro-5,6-dihydro-, hydrochlorideNSC-662120
Database identifiers
- CAS
147521-38-8- PubChem CID
- 378799
- ChEMBL
CHEMBL1976495
Properties
Computed structural properties
- Topological polar surface area
- 71.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 225
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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