5-((Dimethylamino)methyl)-4,5-dihydro-6H-cyclopenta(b)thiophen-6-one

HCID 417776

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Basic information

CAS: 16378-08-8
Standard SMILES: CN(C)CC1Cc2ccsc2C1=O
InChIKey: CEPKIOMFHWCQDB-UHFFFAOYSA-N
Molecular formula: C10H13NOS
Average molar mass: 195.28 g/mol
Monoisotopic mass: 195.07178521

Names & identifiers

Preferred name: 5-((Dimethylamino)methyl)-4,5-dihydro-6H-cyclopenta(b)thiophen-6-one
IUPAC: 5-[(dimethylamino)methyl]-4,5-dihydrocyclopenta[b]thiophen-6-one

Names & synonyms

NSC 9524416378-08-8NSC952445-((Dimethylamino)methyl)-4,5-dihydro-6H-cyclopenta(b)thiophen-6-one5-((Dimethylamino)methyl)-4,5-dihydro-6H-cyclopenta[b]thiophen-6-one5-(dimethylaminomethyl)-4,5-dihydrocyclopenta[b]thiophen-6-one

Database identifiers

CAS: 16378-08-8
PubChem CID: 417776

Properties

Computed structural properties

XLogP: 1.8
Topological polar surface area: 48.6 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 2
Heavy atoms: 13
Formal charge: 0
Complexity: 217

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