885277-87-2
2-PHENYL-4-THIOCARBAMOYL-PYRROLIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
Name2-PHENYL-4-THIOCARBAMOYL-PYRROLIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
pro_formulaC16 H22 N2 O2 S
1Identification
【Name】
2-PHENYL-4-THIOCARBAMOYL-PYRROLIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
【CAS】
【MDL】
MFCD06738952
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C16 H22 N2 O2 S
【pro_molWeight】
306.428
【Inchi】
InChI=1S/C16H22N2O2S/c1-16(2,3)20-15(19)18-10-12(14(17)21)9-13(18)11-7-5-4-6-8-11/h4-8,12-13H,9-10H2,1-3H3,(H2,17,21)
【InChIKey】
InChIKey=YPPICKOBKKEXLU-UHFFFAOYSA-N
【SMILES】
CC(C)(C)OC(=O)N1CC(CC1c2ccccc2)C(=S)N
【MOL File】
2-PHENYL-4-THIOCARBA….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:1
pro_acceptors:4
XLogP3:2.0
Bulk/Fine:FB
3MaterialMSDS
4CMLFile
2-PHENYL-4-THIOCARBAMOYL-PYRROLIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER.cml