54118-09-1
1,3-DIETHYL-5-(3-[(Z)-(3-ETHYL-1,3-BENZOTHIAZOL-2(3H)-YLIDENE)METHYL]CYCLOHEX-2-EN-1-YLIDENE)-2-THIOXODIHYDROPYRIMIDINE-4,6(1H,5H)-DIONE
Name1,3-DIETHYL-5-(3-[(Z)-(3-ETHYL-1,3-BENZOTHIAZOL-2(3H)-YLIDENE)METHYL]CYCLOHEX-2-EN-1-YLIDENE)-2-THIOXODIHYDROPYRIMIDINE-4,6(1H,5H)-DIONE
1Identification
【Name】
1,3-DIETHYL-5-(3-[(Z)-(3-ETHYL-1,3-BENZOTHIAZOL-2(3H)-YLIDENE)METHYL]CYCLOHEX-2-EN-1-YLIDENE)-2-THIOXODIHYDROPYRIMIDINE-4,6(1H,5H)-DIONE
【CAS】
【MDL】
MFCD06409545
【English Synonyms】
【Formula】
C24 H27 N3 O2 S2
【MolWeight】
453.628
【Inchi】
InChI=1S/C24H27N3O2S2/c1-4-25-18-12-7-8-13-19(18)31-20(25)15-16-10-9-11-17(14-16)21-22(28)26(5-2)24(30)27(6-3)23(21)29/h7-8,12-15H,4-6,9-11H2,1-3H3/b20-15-
【InChIKey】
InChIKey=WKVZDDZHIOADHB-HKWRFOASSA-N
【SMILES】
CCN\1c2ccccc2S/C1=C\C3=CC(=C4C(=O)N(C(=S)N(C4=O)CC)CC)CCC3
【MOL File】
1,3-DIETHYL-5-(3-[(Z….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:5
XLogP3:6.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1,3-DIETHYL-5-(3-[(Z)-(3-ETHYL-1,3-BENZOTHIAZOL-2(3H)-YLIDENE)METHYL]CYCLOHEX-2-EN-1-YLIDENE)-2-THIOXODIHYDROPYRIMIDINE-4,6(1H,5H)-DIONE.cml