5-ethyldihydro-2(3H)-thiophenone

HCID 6431111

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Basic information

CAS: 201991-50-6
Standard SMILES: CCC1CCC(=O)S1
InChIKey: YPNRVDPNXSBRDG-UHFFFAOYSA-N
Molecular formula: C6H10OS
Average molar mass: 130.21 g/mol
Monoisotopic mass: 130.04523611

Names & identifiers

Preferred name: 5-ethyldihydro-2(3H)-thiophenone
IUPAC: 5-ethylthiolan-2-one

Names & synonyms

201991-50-65-ethyldihydro-2(3H)-thiophenoneDTXSID20424027RefChem:303012DTXCID10374865YPNRVDPNXSBRDG-UHFFFAOYSA-N5-ethylthiolan-2-one2(3H)-Thiophenone, 5-ethyldihydro-5-Ethyldihydrothiophen-2(3H)-oneSCHEMBL13628802EN300-27103825

Database identifiers

CAS: 201991-50-6
PubChem CID: 6431111
DTXSID: DTXSID20424027
Nikkaji: J931.604C

Properties

Computed structural properties

XLogP: 1.7
Topological polar surface area: 42.4 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 8
Formal charge: 0
Complexity: 101

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