83822-35-9
2-AMINO-N-(4-METHYLPHENYL)-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXAMIDE
Name2-AMINO-N-(4-METHYLPHENYL)-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXAMIDE
pro_formulaC16 H18 N2 O S
1Identification
【Name】
2-AMINO-N-(4-METHYLPHENYL)-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXAMIDE
【CAS】
【MDL】
MFCD00421038
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C16 H18 N2 O S
【pro_molWeight】
286.397
【Inchi】
InChI=1S/C16H18N2OS/c1-10-6-8-11(9-7-10)18-16(19)14-12-4-2-3-5-13(12)20-15(14)17/h6-9H,2-5,17H2,1H3,(H,18,19)
【InChIKey】
InChIKey=SGILTGZRNIXPNK-UHFFFAOYSA-N
【SMILES】
Cc1ccc(cc1)NC(=O)c2c3c(sc2N)CCCC3
【MOL File】
2-AMINO-N-(4-METHYLP….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:2
pro_acceptors:3
XLogP3:4.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
2-AMINO-N-(4-METHYLPHENYL)-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXAMIDE.cml