306935-45-5
5-(N-TERT-BUTOXYCARBONYLAMINOMETHYL)-4-PHENYL-1,2,4-TRIAZOLE-3-THIOL
Name5-(N-TERT-BUTOXYCARBONYLAMINOMETHYL)-4-PHENYL-1,2,4-TRIAZOLE-3-THIOL
1Identification
【Name】
5-(N-TERT-BUTOXYCARBONYLAMINOMETHYL)-4-PHENYL-1,2,4-TRIAZOLE-3-THIOL
【CAS】
【MDL】
MFCD01570689
【English Synonyms】
【Formula】
C14 H18 N4 O2 S
【MolWeight】
306.388
【Inchi】
InChI=1S/C14H18N4O2S/c1-14(2,3)20-13(19)15-9-11-16-17-12(21)18(11)10-7-5-4-6-8-10/h4-8H,9H2,1-3H3,(H,15,19)(H,17,21)
【InChIKey】
InChIKey=MLKWKXJCGAYVOB-UHFFFAOYSA-N
【SMILES】
CC(C)(C)OC(=O)NCc1nnc(n1c2ccccc2)S
【MOL File】
5-(N-TERT-BUTOXYCARB….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:6
XLogP3:2.0
Bulk/Fine:FB
3Material Safety Data Sheet(MSDS)
4CML File
5-(N-TERT-BUTOXYCARBONYLAMINOMETHYL)-4-PHENYL-1,2,4-TRIAZOLE-3-THIOL.cml