57296-02-3
[(2Z)-2-(3-ETHYL-1,3-BENZOTHIAZOL-2(3H)-YLIDENE)ETHYLIDENE]MALONONITRILE
Name[(2Z)-2-(3-ETHYL-1,3-BENZOTHIAZOL-2(3H)-YLIDENE)ETHYLIDENE]MALONONITRILE
1Identification
【Name】
[(2Z)-2-(3-ETHYL-1,3-BENZOTHIAZOL-2(3H)-YLIDENE)ETHYLIDENE]MALONONITRILE
【CAS】
【MDL】
MFCD06409779
【English Synonyms】
【Formula】
C14 H11 N3 S
【MolWeight】
253.328
【Inchi】
InChI=1S/C14H11N3S/c1-2-17-12-5-3-4-6-13(12)18-14(17)8-7-11(9-15)10-16/h3-8H,2H2,1H3/b14-8-
【InChIKey】
InChIKey=WBHQBVPTJRAPIJ-ZSOIEALJSA-N
【SMILES】
CCN\1c2ccccc2S/C1=C\C=C(C#N)C#N
【MOL File】
[(2Z)-2-(3-ETHYL-1,3….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:3
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
[(2Z)-2-(3-ETHYL-1,3-BENZOTHIAZOL-2(3H)-YLIDENE)ETHYLIDENE]MALONONITRILE.cml