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3,3-dimethylthian-4-one

Systemtic Name:	3,3-dimethylthian-4-one
Openeye Name:	3,3-dimethyltetrahydrothiopyran-4-one
CAS Name:	3,3-dimethyl-4-thianone
IUPAC Name:	3,3-dimethylthian-4-one
Traditional Name:	3,3-dimethyltetrahydrothiopyran-4-one
Formula:	C₇H₁₂OS
MolecularWeight:	144.23458

Descriptors Computed from Structure

Canonical SMILES:

CC1(CSCCC1=O)C

Isomeric SMILES

CC1(CSCCC1=O)C

InChI

InChI=1S/C7H12OS/c1-7(2)5-9-4-3-6(7)8/h3-5H2,1-2H3