338778-59-9
5-[2-(DIMETHYLAMINO)VINYL]-3-[(4-METHYLBENZYL)SULFANYL]-4-ISOTHIAZOLECARBONITRILE
Name5-[2-(DIMETHYLAMINO)VINYL]-3-[(4-METHYLBENZYL)SULFANYL]-4-ISOTHIAZOLECARBONITRILE
1Identification
【Name】
5-[2-(DIMETHYLAMINO)VINYL]-3-[(4-METHYLBENZYL)SULFANYL]-4-ISOTHIAZOLECARBONITRILE
【CAS】
【MDL】
MFCD00138533
【English Synonyms】
【Formula】
C16 H17 N3 S2
【MolWeight】
315.463
【Inchi】
InChI=1S/C16H17N3S2/c1-12-4-6-13(7-5-12)11-20-16-14(10-17)15(21-18-16)8-9-19(2)3/h4-9H,11H2,1-3H3/b9-8+
【InChIKey】
InChIKey=YQTWLZPVQVBFFK-CMDGGOBGSA-N
【SMILES】
Cc1ccc(cc1)CSc2c(c(sn2)/C=C/N(C)C)C#N
【MOL File】
5-[2-(DIMETHYLAMINO)….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
5-[2-(DIMETHYLAMINO)VINYL]-3-[(4-METHYLBENZYL)SULFANYL]-4-ISOTHIAZOLECARBONITRILE.cml