885460-60-6
5-(5-TERT-BUTYL-4,5,6,7-TETRAHYDRO-1-BENZOTHIEN-2-YL)-1,3,4-OXADIAZOLE-2-THIOL
Name5-(5-TERT-BUTYL-4,5,6,7-TETRAHYDRO-1-BENZOTHIEN-2-YL)-1,3,4-OXADIAZOLE-2-THIOL
1Identification
【Name】
5-(5-TERT-BUTYL-4,5,6,7-TETRAHYDRO-1-BENZOTHIEN-2-YL)-1,3,4-OXADIAZOLE-2-THIOL
【CAS】
【MDL】
MFCD06660722
【English Synonyms】
【Formula】
C14 H18 N2 O S2
【MolWeight】
294.441
【Inchi】
InChI=1S/C14H18N2OS2/c1-14(2,3)9-4-5-10-8(6-9)7-11(19-10)12-15-16-13(18)17-12/h7,9H,4-6H2,1-3H3,(H,16,18)
【InChIKey】
InChIKey=ZMWOXKQOHSLHPH-UHFFFAOYSA-N
【SMILES】
CC(C)(C)C1CCc2c(cc(s2)c3nnc(o3)S)C1
【MOL File】
5-(5-TERT-BUTYL-4,5,….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:3
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
5-(5-TERT-BUTYL-4,5,6,7-TETRAHYDRO-1-BENZOTHIEN-2-YL)-1,3,4-OXADIAZOLE-2-THIOL.cml