777875-20-4
3H-1,2,4-TRIAZOLE-3-THIONE, 4-ETHYL-2,4-DIHYDRO-5-(3-METHYL-2-THIENYL)-
Name3H-1,2,4-TRIAZOLE-3-THIONE, 4-ETHYL-2,4-DIHYDRO-5-(3-METHYL-2-THIENYL)-
1Identification
【Name】
3H-1,2,4-TRIAZOLE-3-THIONE, 4-ETHYL-2,4-DIHYDRO-5-(3-METHYL-2-THIENYL)-
【CAS】
【MDL】
MFCD18818098
【English Synonyms】
【Formula】
C9 H11 N3 S2
【MolWeight】
225.339
【Inchi】
InChI=1S/C9H11N3S2/c1-3-12-8(10-11-9(12)13)7-6(2)4-5-14-7/h4-5H,3H2,1-2H3,(H,11,13)
【InChIKey】
InChIKey=VHNFABZJQKPVTF-UHFFFAOYSA-N
【SMILES】
CCn1c(n[nH]c1=S)c2c(ccs2)C
【MOL File】
3H-1,2,4-TRIAZOLE-3-….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:3
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
3H-1,2,4-TRIAZOLE-3-THIONE, 4-ETHYL-2,4-DIHYDRO-5-(3-METHYL-2-THIENYL)-.cml