69326-89-2
N-(2-METHYLPHENYL)-2-(1-(2,3,4-TRIHYDROXYPHENYL)ETHYLIDENE)-HYDRAZINECARBOTHIOAMIDE
NameN-(2-METHYLPHENYL)-2-(1-(2,3,4-TRIHYDROXYPHENYL)ETHYLIDENE)-HYDRAZINECARBOTHIOAMIDE
pro_formulaC16 H17 N3 O3 S
1Identification
【Name】
N-(2-METHYLPHENYL)-2-(1-(2,3,4-TRIHYDROXYPHENYL)ETHYLIDENE)-HYDRAZINECARBOTHIOAMIDE
【CAS】
【MDL】
MFCD01722656
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C16 H17 N3 O3 S
【pro_molWeight】
331.394
【Inchi】
InChI=1S/C16H17N3O3S/c1-9-5-3-4-6-12(9)17-16(23)19-18-10(2)11-7-8-13(20)15(22)14(11)21/h3-8,20-22H,1-2H3,(H2,17,19,23)/b18-10+
【InChIKey】
InChIKey=VXGUYBUXZJHVKM-VCHYOVAHSA-N
【SMILES】
Cc1ccccc1NC(=S)N/N=C(\C)/c2ccc(c(c2O)O)O
【MOL File】
N-(2-METHYLPHENYL)-2….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:5
pro_acceptors:6
XLogP3:5.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
N-(2-METHYLPHENYL)-2-(1-(2,3,4-TRIHYDROXYPHENYL)ETHYLIDENE)-HYDRAZINECARBOTHIOAMIDE.cml