338751-26-1
5-[2-(3,4-DIMETHYLANILINO)VINYL]-3-(METHYLSULFANYL)-4-ISOTHIAZOLECARBONITRILE
Name5-[2-(3,4-DIMETHYLANILINO)VINYL]-3-(METHYLSULFANYL)-4-ISOTHIAZOLECARBONITRILE
1Identification
【Name】
5-[2-(3,4-DIMETHYLANILINO)VINYL]-3-(METHYLSULFANYL)-4-ISOTHIAZOLECARBONITRILE
【CAS】
【MDL】
MFCD00138516
【English Synonyms】
【Formula】
C15 H15 N3 S2
【MolWeight】
301.436
【Inchi】
InChI=1S/C15H15N3S2/c1-10-4-5-12(8-11(10)2)17-7-6-14-13(9-16)15(19-3)18-20-14/h4-8,17H,1-3H3/b7-6+
【InChIKey】
InChIKey=ZYJPGUPOKHLYKT-VOTSOKGWSA-N
【SMILES】
Cc1ccc(cc1C)N/C=C/c2c(c(ns2)SC)C#N
【MOL File】
5-[2-(3,4-DIMETHYLAN….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:3
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
5-[2-(3,4-DIMETHYLANILINO)VINYL]-3-(METHYLSULFANYL)-4-ISOTHIAZOLECARBONITRILE.cml