1950-15-8
SODIUM 5-BENZYL-6-THIOXODIHYDRO-2H-1,3,5-THIADIAZINE-3(4H)-ACETATE
NameSODIUM 5-BENZYL-6-THIOXODIHYDRO-2H-1,3,5-THIADIAZINE-3(4H)-ACETATE
FormulaC12 H13 N2 O2 S2 . Na
1Identification
【Name】
SODIUM 5-BENZYL-6-THIOXODIHYDRO-2H-1,3,5-THIADIAZINE-3(4H)-ACETATE
【CAS】
【MDL】
MFCD16877134
【English Synonyms】
【Formula】
C12 H13 N2 O2 S2 . Na
【MolWeight】
304.369
【Inchi】
InChI=1S/C12H14N2O2S2.Na/c15-11(16)7-13-8-14(12(17)18-9-13)6-10-4-2-1-3-5-10;/h1-5H,6-9H2,(H,15,16);/q;+1/p-1
【InChIKey】
InChIKey=YEOVSRMZSRGQNK-UHFFFAOYSA-M
【SMILES】
c1ccc(cc1)CN2CN(CSC2=S)CC(=O)[O-].[Na+]
【MOL File】
SODIUM 5-BENZYL-6-TH….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:4
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
SODIUM 5-BENZYL-6-THIOXODIHYDRO-2H-1,3,5-THIADIAZINE-3(4H)-ACETATE.cml