99229-76-2
1-(4-CARBOXYPHENYL)-5-MERCAPTOTETRAZOLE DISODIUM SALT
Name1-(4-CARBOXYPHENYL)-5-MERCAPTOTETRAZOLE DISODIUM SALT
FormulaC8 H4 N4 Na O2 S . Na
1Identification
【Name】
1-(4-CARBOXYPHENYL)-5-MERCAPTOTETRAZOLE DISODIUM SALT
【CAS】
【MDL】
MFCD02684082
【English Synonyms】
【Formula】
C8 H4 N4 Na O2 S . Na
【MolWeight】
266.192
【Inchi】
InChI=1S/C8H6N4O2S.2Na/c13-7(14)5-1-3-6(4-2-5)12-8(15)9-10-11-12;;/h1-4H,(H,13,14)(H,9,11,15);;/q;2*+1/p-2
【InChIKey】
InChIKey=HQNUCAVPQHGDPJ-UHFFFAOYSA-L
【SMILES】
c1cc(ccc1C(=O)[O-])n2c(nnn2)S[Na].[Na+]
【MOL File】
1-(4-CARBOXYPHENYL)-….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:6
XLogP3:-2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1-(4-CARBOXYPHENYL)-5-MERCAPTOTETRAZOLE DISODIUM SALT.cml