81735-49-1
1-((4,4-DIMETHYL-4H-1,3-BENZOTHIAZIN-2-YL)METHYL)-2-PYRROLIDINONE HYDR OCHLORIDE
Name1-((4,4-DIMETHYL-4H-1,3-BENZOTHIAZIN-2-YL)METHYL)-2-PYRROLIDINONE HYDR OCHLORIDE
FormulaC15 H18 N2 O S . Cl H
1Identification
【Name】
1-((4,4-DIMETHYL-4H-1,3-BENZOTHIAZIN-2-YL)METHYL)-2-PYRROLIDINONE HYDR OCHLORIDE
【CAS】
【MDL】
MFCD01687336
【English Synonyms】
【Formula】
C15 H18 N2 O S . Cl H
【MolWeight】
310.847
【Inchi】
InChI=1S/C15H18N2OS.ClH/c1-15(2)11-6-3-4-7-12(11)19-13(16-15)10-17-9-5-8-14(17)18;/h3-4,6-7H,5,8-10H2,1-2H3;1H
【InChIKey】
InChIKey=YCPGURHRPIYXRH-UHFFFAOYSA-N
【SMILES】
CC1(c2ccccc2SC(=N1)CN3CCCC3=O)C.Cl
【MOL File】
1-((4,4-DIMETHYL-4H-….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:3
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1-((4,4-DIMETHYL-4H-1,3-BENZOTHIAZIN-2-YL)METHYL)-2-PYRROLIDINONE HYDR OCHLORIDE.cml