338751-30-7
5-[2-(4-HYDROXY-2-METHYLANILINO)VINYL]-3-(METHYLSULFANYL)-4-ISOTHIAZOLECARBONITRILE
Name5-[2-(4-HYDROXY-2-METHYLANILINO)VINYL]-3-(METHYLSULFANYL)-4-ISOTHIAZOLECARBONITRILE
pro_formulaC14 H13 N3 O S2
1Identification
【Name】
5-[2-(4-HYDROXY-2-METHYLANILINO)VINYL]-3-(METHYLSULFANYL)-4-ISOTHIAZOLECARBONITRILE
【CAS】
【MDL】
MFCD00138519
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C14 H13 N3 O S2
【pro_molWeight】
303.409
【Inchi】
InChI=1S/C14H13N3OS2/c1-9-7-10(18)3-4-12(9)16-6-5-13-11(8-15)14(19-2)17-20-13/h3-7,16,18H,1-2H3/b6-5+
【InChIKey】
InChIKey=BYYFKAJSTZBQDN-AATRIKPKSA-N
【SMILES】
Cc1cc(ccc1N/C=C/c2c(c(ns2)SC)C#N)O
【MOL File】
5-[2-(4-HYDROXY-2-ME….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:2
pro_acceptors:4
XLogP3:2.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
5-[2-(4-HYDROXY-2-METHYLANILINO)VINYL]-3-(METHYLSULFANYL)-4-ISOTHIAZOLECARBONITRILE.cml