888968-35-2
2-(3-(HYDROXYMETHYL)PHENYLTHIO)ISONICOTINONITRILE
Name2-(3-(HYDROXYMETHYL)PHENYLTHIO)ISONICOTINONITRILE
pro_formulaC13 H10 N2 O S
1Identification
【Name】
2-(3-(HYDROXYMETHYL)PHENYLTHIO)ISONICOTINONITRILE
【CAS】
【MDL】
MFCD11111100
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C13 H10 N2 O S
【pro_molWeight】
242.301
【Inchi】
InChI=1S/C13H10N2OS/c14-8-10-4-5-15-13(7-10)17-12-3-1-2-11(6-12)9-16/h1-7,16H,9H2
【InChIKey】
InChIKey=NGVDCAJRRJNDQB-UHFFFAOYSA-N
【SMILES】
c1cc(cc(c1)Sc2cc(ccn2)C#N)CO
【MOL File】
2-(3-(HYDROXYMETHYL)….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:1
pro_acceptors:3
XLogP3:1.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
2-(3-(HYDROXYMETHYL)PHENYLTHIO)ISONICOTINONITRILE.cml