733030-98-3
2-([4-ETHYL-5-(THIOPHEN-2-YL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL)ACETIC ACID
Name2-([4-ETHYL-5-(THIOPHEN-2-YL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL)ACETIC ACID
1Identification
【Name】
2-([4-ETHYL-5-(THIOPHEN-2-YL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL)ACETIC ACID
【CAS】
【MDL】
MFCD04635906
【English Synonyms】
【Formula】
C10 H11 N3 O2 S2
【MolWeight】
269.348
【Inchi】
InChI=1S/C10H11N3O2S2/c1-2-13-9(7-4-3-5-16-7)11-12-10(13)17-6-8(14)15/h3-5H,2,6H2,1H3,(H,14,15)
【InChIKey】
InChIKey=FOECDIDOUCEWKO-UHFFFAOYSA-N
【SMILES】
CCn1c(nnc1SCC(=O)O)c2cccs2
【MOL File】
2-([4-ETHYL-5-(THIOP….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:5
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2-([4-ETHYL-5-(THIOPHEN-2-YL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL)ACETIC ACID.cml