Molecule ID: 45266882

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

Description: The molecule is a butan-4-olide having a thiocyanatomethyl 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: CC1(C)CC(CSC#N)C(=O)O1

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

InChI: InChI=1S/C8H11NO2S/c1-8(2)3-6(4-12-5-9)7(10)11-8/h6H,3-4H2,1-2H3

Molecular Properties:
- Polar Surface Area: 75.4 Ų
- LogP: 1.5