88653-80-9
2-CHLORO-1-(TETRAHYDRO-2,2-DIMETHYL-2H-THIOPYRAN-4-YL)-ETHANONE
Name2-CHLORO-1-(TETRAHYDRO-2,2-DIMETHYL-2H-THIOPYRAN-4-YL)-ETHANONE
1Identification
【Name】
2-CHLORO-1-(TETRAHYDRO-2,2-DIMETHYL-2H-THIOPYRAN-4-YL)-ETHANONE
【CAS】
【MDL】
MFCD13173080
【English Synonyms】
【Formula】
C9 H15 Cl O S
【MolWeight】
206.736
【Inchi】
InChI=1S/C9H15ClOS/c1-9(2)5-7(3-4-12-9)8(11)6-10/h7H,3-6H2,1-2H3
【InChIKey】
InChIKey=TVNUQPAUIMITEO-UHFFFAOYSA-N
【SMILES】
CC1(CC(CCS1)C(=O)CCl)C
【MOL File】
2-CHLORO-1-(TETRAHYD….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:1
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2-CHLORO-1-(TETRAHYDRO-2,2-DIMETHYL-2H-THIOPYRAN-4-YL)-ETHANONE.cml