880652-78-8
1,3-DIHYDRO-4-[1-(5,6,7,8-TETRAHYDRO-4-QUINOLINYL)ETHYL]-2H-IMIDAZOLE-2-THIONE
Name1,3-DIHYDRO-4-[1-(5,6,7,8-TETRAHYDRO-4-QUINOLINYL)ETHYL]-2H-IMIDAZOLE-2-THIONE
1Identification
【Name】
1,3-DIHYDRO-4-[1-(5,6,7,8-TETRAHYDRO-4-QUINOLINYL)ETHYL]-2H-IMIDAZOLE-2-THIONE
【CAS】
【MDL】
MFCD16878924
【English Synonyms】
【Formula】
C14 H17 N3 S
【MolWeight】
259.375
【Inchi】
InChI=1S/C14H17N3S/c1-9(13-8-16-14(18)17-13)10-6-7-15-12-5-3-2-4-11(10)12/h6-9H,2-5H2,1H3,(H2,16,17,18)
【InChIKey】
InChIKey=XHNAPWFQYDHJLE-UHFFFAOYSA-N
【SMILES】
CC(c1ccnc2c1CCCC2)c3c[nH]c(=S)[nH]3
【MOL File】
1,3-DIHYDRO-4-[1-(5,….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:3
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1,3-DIHYDRO-4-[1-(5,6,7,8-TETRAHYDRO-4-QUINOLINYL)ETHYL]-2H-IMIDAZOLE-2-THIONE.cml