65972-19-2
1-METHYL-4-([2-(PHENYLTHIO)ETHYL]SULFONYL)BENZENE
Name1-METHYL-4-([2-(PHENYLTHIO)ETHYL]SULFONYL)BENZENE
1Identification
【Name】
1-METHYL-4-([2-(PHENYLTHIO)ETHYL]SULFONYL)BENZENE
【CAS】
【MDL】
MFCD00122759
【English Synonyms】
【Formula】
C15 H16 O2 S2
【MolWeight】
292.421
【Inchi】
InChI=1S/C15H16O2S2/c1-13-7-9-15(10-8-13)19(16,17)12-11-18-14-5-3-2-4-6-14/h2-10H,11-12H2,1H3
【InChIKey】
InChIKey=RTSRWKKZGOXSNC-UHFFFAOYSA-N
【SMILES】
Cc1ccc(cc1)S(=O)(=O)CCSc2ccccc2
【MOL File】
1-METHYL-4-([2-(PHEN….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:2
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1-METHYL-4-([2-(PHENYLTHIO)ETHYL]SULFONYL)BENZENE.cml