(2S,4R,5S)-5-chloranyl-2,4-dimethyl-thian-3-one

Systemtic Name: (2S,4R,5S)-5-chloranyl-2,4-dimethyl-thian-3-one Openeye Name: (2S,4R,5S)-5-chloro-2,4-dimethyl-tetrahydrothiopyran-3-one CAS Name: (2S,4R,5S)-5-chloro-2,4-dimethyl-3-thianone IUPAC Name: (2S,4R,5S)-5-chloro-2,4-dimethylthian-3-one Traditional Name: (2S,4R,5S)-5-chloro-2,4-dimethyl-tetrahydrothiopyran-3-one Formula: C7H11ClOS MolecularWeight: 178.67964

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1C(CSC(C1=O)C)Cl

Isomeric SMILES

C[C@H]1[C@@H](CS[C@H](C1=O)C)Cl

InChI

InChI=1S/C7H11ClOS/c1-4-6(8)3-10-5(2)7(4)9/h4-6H,3H2,1-2H3/t4-,5-,6+/m0/s1