54461-02-8
1-METHYL-4-(METHYLTHIO)BICYCLO[2.2.2]OCTANE
Name1-METHYL-4-(METHYLTHIO)BICYCLO[2.2.2]OCTANE
1Identification
【Name】
1-METHYL-4-(METHYLTHIO)BICYCLO[2.2.2]OCTANE
【CAS】
【MDL】
MFCD21604593
【English Synonyms】
【Formula】
C10 H18 S
【MolWeight】
170.318
【Inchi】
InChI=1S/C10H18S/c1-9-3-6-10(11-2,7-4-9)8-5-9/h3-8H2,1-2H3/t9-,10-
【InChIKey】
InChIKey=NFKUXWNOWDBREQ-MGCOHNPYSA-N
【SMILES】
C[C@@]12CC[C@@](CC1)(CC2)SC
【MOL File】
1-METHYL-4-(METHYLTH….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:0
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1-METHYL-4-(METHYLTHIO)BICYCLO[2.2.2]OCTANE.cml