898781-87-8
CYCLOPROPYL 2-(4-THIOMETHYLPHENYL)ETHYL KETONE
NameCYCLOPROPYL 2-(4-THIOMETHYLPHENYL)ETHYL KETONE
1Identification
【Name】
CYCLOPROPYL 2-(4-THIOMETHYLPHENYL)ETHYL KETONE
【CAS】
【MDL】
MFCD03843293
【English Synonyms】
【Formula】
C13 H16 O S
【MolWeight】
220.334
【Inchi】
InChI=1S/C13H16OS/c1-15-12-7-2-10(3-8-12)4-9-13(14)11-5-6-11/h2-3,7-8,11H,4-6,9H2,1H3
【InChIKey】
InChIKey=NPAGKFMGVLGJQC-UHFFFAOYSA-N
【SMILES】
CSc1ccc(cc1)CCC(=O)C2CC2
【MOL File】
CYCLOPROPYL 2-(4-THI….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:1
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
CYCLOPROPYL 2-(4-THIOMETHYLPHENYL)ETHYL KETONE.cml