Molecule ID: 51351699

IUPAC Name: 1-(5,5-dimethyl-2-oxooxolan-3-yl)ethyl thiocyanate

Description: The molecule is a butan-4-olide having a 1-thiocyanatoethyl group at the 3-position and two methyl substituents at the 5-position. It is a butan-4-olide and a member of thiocyanates.

SMILES: CC(SC#N)C1CC(C)(C)OC1=O

SELFIES: [C][C][Branch1][Ring2][S][C][#N][C][C][C][Branch1][C][C][Branch1][C][C][O][C][Ring1][#Branch1][=O]

InChI: InChI=1S/C9H13NO2S/c1-6(13-5-10)7-4-9(2,3)12-8(7)11/h6-7H,4H2,1-3H3

Molecular Properties:
- Polar Surface Area: 75.4 Ų
- LogP: 2.0