92339-43-0
1-(3-PHENOXYCARBAMIDOPHENYL)-5-MERCAPTOTETRAZOLE
Name1-(3-PHENOXYCARBAMIDOPHENYL)-5-MERCAPTOTETRAZOLE
1Identification
【Name】
1-(3-PHENOXYCARBAMIDOPHENYL)-5-MERCAPTOTETRAZOLE
【CAS】
【MDL】
MFCD08062442
【English Synonyms】
【Formula】
C14 H11 N5 O2 S
【MolWeight】
313.34
【Inchi】
InChI=1S/C14H11N5O2S/c20-14(21-12-7-2-1-3-8-12)15-10-5-4-6-11(9-10)19-13(22)16-17-18-19/h1-9H,(H,15,20)(H,16,18,22)
【InChIKey】
InChIKey=OLYBCRXJXKDBNK-UHFFFAOYSA-N
【SMILES】
c1ccc(cc1)OC(=O)Nc2cccc(c2)n3c(nnn3)S
【MOL File】
1-(3-PHENOXYCARBAMID….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:7
XLogP3:1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1-(3-PHENOXYCARBAMIDOPHENYL)-5-MERCAPTOTETRAZOLE.cml