121219-38-3
1-HEXYL-4-(4-ISOTHIOCYANATOPHENYL)-BICYC LO(2.2.2)OCTANE
Name1-HEXYL-4-(4-ISOTHIOCYANATOPHENYL)-BICYC LO(2.2.2)OCTANE
1Identification
【Name】
1-HEXYL-4-(4-ISOTHIOCYANATOPHENYL)-BICYC LO(2.2.2)OCTANE
【CAS】
【MDL】
MFCD00213563
【English Synonyms】
【Formula】
C21 H29 N S
【MolWeight】
327.533
【Inchi】
InChI=1S/C21H29NS/c1-2-3-4-5-10-20-11-14-21(15-12-20,16-13-20)18-6-8-19(9-7-18)22-17-23/h6-9H,2-5,10-16H2,1H3/t20-,21-
【InChIKey】
InChIKey=QFAIJDOQNIKXJY-MEMLXQNLSA-N
【SMILES】
CCCCCC[C@]12CC[C@](CC1)(CC2)c3ccc(cc3)N=C=S
【MOL File】
1-HEXYL-4-(4-ISOTHIO….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:1
XLogP3:9.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1-HEXYL-4-(4-ISOTHIOCYANATOPHENYL)-BICYC LO(2.2.2)OCTANE.cml