4900-33-8
5-[[(1H-1,2,3,4-TETRAAZOL-5-YLMETHYL)THIO]METHYL]-1H-1,2,3,4-TETRAAZOLE
Name5-[[(1H-1,2,3,4-TETRAAZOL-5-YLMETHYL)THIO]METHYL]-1H-1,2,3,4-TETRAAZOLE
1Identification
【Name】
5-[[(1H-1,2,3,4-TETRAAZOL-5-YLMETHYL)THIO]METHYL]-1H-1,2,3,4-TETRAAZOLE
【CAS】
【MDL】
MFCD00067730
【English Synonyms】
【Formula】
C4 H6 N8 S
【MolWeight】
198.213
【Inchi】
InChI=1S/C4H6N8S/c1(3-5-9-10-6-3)13-2-4-7-11-12-8-4/h1-2H2,(H,5,6,9,10)(H,7,8,11,12)
【InChIKey】
InChIKey=UUPOABNUILWGHX-UHFFFAOYSA-N
【SMILES】
C(c1[nH]nnn1)SCc2[nH]nnn2
【MOL File】
5-[[(1H-1,2,3,4-TETR….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:8
XLogP3:-2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
5-[[(1H-1,2,3,4-TETRAAZOL-5-YLMETHYL)THIO]METHYL]-1H-1,2,3,4-TETRAAZOLE.cml