338394-36-8
5-[2,2-BIS(ETHYLSULFANYL)ETHYL]-4-METHYL-4H-1,2,4-TRIAZOLE-3-THIOL
Name5-[2,2-BIS(ETHYLSULFANYL)ETHYL]-4-METHYL-4H-1,2,4-TRIAZOLE-3-THIOL
1Identification
【Name】
5-[2,2-BIS(ETHYLSULFANYL)ETHYL]-4-METHYL-4H-1,2,4-TRIAZOLE-3-THIOL
【CAS】
【MDL】
MFCD00138465
【English Synonyms】
【Formula】
C9 H17 N3 S3
【MolWeight】
263.452
【Inchi】
InChI=1S/C9H17N3S3/c1-4-14-8(15-5-2)6-7-10-11-9(13)12(7)3/h8H,4-6H2,1-3H3,(H,11,13)
【InChIKey】
InChIKey=NZVPPPZRYJAJMM-UHFFFAOYSA-N
【SMILES】
CCSC(Cc1nnc(n1C)S)SCC
【MOL File】
5-[2,2-BIS(ETHYLSULF….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
5-[2,2-BIS(ETHYLSULFANYL)ETHYL]-4-METHYL-4H-1,2,4-TRIAZOLE-3-THIOL.cml