77459-07-5
THIOUREA, PHENYL(3,4,5-TRIMETHYL-2(3H)-OXAZOLYLIDENE)
NameTHIOUREA, PHENYL(3,4,5-TRIMETHYL-2(3H)-OXAZOLYLIDENE)
pro_formulaC13 H15 N3 O S
1Identification
【Name】
THIOUREA, PHENYL(3,4,5-TRIMETHYL-2(3H)-OXAZOLYLIDENE)
【CAS】
【MDL】
MFCD13175459
【EnglishSynonyms】
【pro_formula】
C13 H15 N3 O S
【pro_molWeight】
261.348
【Inchi】
InChI=1S/C13H15N3OS/c1-9-10(2)17-13(16(9)3)15-12(18)14-11-7-5-4-6-8-11/h4-8H,1-3H3,(H,14,18)/b15-13+
【InChIKey】
InChIKey=XVWBZWPDLABNRO-FYWRMAATSA-N
【SMILES】
Cc1c(o/c(=N/C(=S)Nc2ccccc2)/n1C)C
【MOL File】
THIOUREA, PHENYL(3,4….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:1
pro_acceptors:4
XLogP3:0.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
THIOUREA, PHENYL(3,4,5-TRIMETHYL-2(3H)-OXAZOLYLIDENE).cml