477869-75-3
5-(4,5-DIHYDRONAPHTHO[1,2-B]THIOPHEN-2-YL)-4-ETHYL-4H-1,2,4-TRIAZOLE-3-THIOL
Name5-(4,5-DIHYDRONAPHTHO[1,2-B]THIOPHEN-2-YL)-4-ETHYL-4H-1,2,4-TRIAZOLE-3-THIOL
1Identification
【Name】
5-(4,5-DIHYDRONAPHTHO[1,2-B]THIOPHEN-2-YL)-4-ETHYL-4H-1,2,4-TRIAZOLE-3-THIOL
【CAS】
【MDL】
MFCD01815411
【English Synonyms】
【Formula】
C16 H15 N3 S2
【MolWeight】
313.448
【Inchi】
InChI=1S/C16H15N3S2/c1-2-19-15(17-18-16(19)20)13-9-11-8-7-10-5-3-4-6-12(10)14(11)21-13/h3-6,9H,2,7-8H2,1H3,(H,18,20)
【InChIKey】
InChIKey=WQOPSQDNCDMMQN-UHFFFAOYSA-N
【SMILES】
CCn1c(nnc1S)c2cc3c(s2)-c4ccccc4CC3
【MOL File】
5-(4,5-DIHYDRONAPHTH….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:3
XLogP3:5.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
5-(4,5-DIHYDRONAPHTHO[1,2-B]THIOPHEN-2-YL)-4-ETHYL-4H-1,2,4-TRIAZOLE-3-THIOL.cml