448947-84-0
4-METHYL-5-[(2-THIENYLTHIO)METHYL]-4H-1,2,4-TRIAZOLE-3-THIOL
Name4-METHYL-5-[(2-THIENYLTHIO)METHYL]-4H-1,2,4-TRIAZOLE-3-THIOL
1Identification
【Name】
4-METHYL-5-[(2-THIENYLTHIO)METHYL]-4H-1,2,4-TRIAZOLE-3-THIOL
【CAS】
【MDL】
MFCD00277532
【English Synonyms】
【Formula】
C8 H9 N3 S3
【MolWeight】
243.378
【Inchi】
InChI=1S/C8H9N3S3/c1-11-6(9-10-8(11)12)5-14-7-3-2-4-13-7/h2-4H,5H2,1H3,(H,10,12)
【InChIKey】
InChIKey=ZSELYSPKDJZLFK-UHFFFAOYSA-N
【SMILES】
Cn1c(nnc1S)CSc2cccs2
【MOL File】
4-METHYL-5-[(2-THIEN….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:3
XLogP3:2.0
Bulk/Fine:FB
3Material Safety Data Sheet(MSDS)
4CML File
4-METHYL-5-[(2-THIENYLTHIO)METHYL]-4H-1,2,4-TRIAZOLE-3-THIOL.cml