1251923-20-2
4-[3-(DIMETHYLAMINO)PROPYL]-3-METHYL-4,5-DIHYDRO-1H-1,2,4-TRIAZOLE-5-THIONE DIHYDROCHLORIDE
Name4-[3-(DIMETHYLAMINO)PROPYL]-3-METHYL-4,5-DIHYDRO-1H-1,2,4-TRIAZOLE-5-THIONE DIHYDROCHLORIDE
FormulaC8 H16 N4 S . 2 Cl H
1Identification
【Name】
4-[3-(DIMETHYLAMINO)PROPYL]-3-METHYL-4,5-DIHYDRO-1H-1,2,4-TRIAZOLE-5-THIONE DIHYDROCHLORIDE
【CAS】
【MDL】
MFCD16990661
【English Synonyms】
【Formula】
C8 H16 N4 S . 2 Cl H
【MolWeight】
273.23
【Inchi】
InChI=1S/C8H16N4S.2ClH/c1-7-9-10-8(13)12(7)6-4-5-11(2)3;;/h4-6H2,1-3H3,(H,10,13);2*1H
【InChIKey】
InChIKey=OEPAAFYODQDUAN-UHFFFAOYSA-N
【SMILES】
Cc1n[nH]c(=S)n1CCCN(C)C.Cl.Cl
【MOL File】
4-[3-(DIMETHYLAMINO)….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:4
XLogP3:1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-[3-(DIMETHYLAMINO)PROPYL]-3-METHYL-4,5-DIHYDRO-1H-1,2,4-TRIAZOLE-5-THIONE DIHYDROCHLORIDE.cml