4-(2,5-Dihydro-5-thioxo-1H-tetrazol-1-yl)-benzoic acid sodium salt (1:2)

Base Information

• Chemical Name: 4-(2,5-Dihydro-5-thioxo-1H-tetrazol-1-yl)-benzoic acid sodium salt (1:2)
• CAS No.: 99229-76-2
• Molecular Formula: C8H6N4O2S.2Na
• Molecular Weight: 266.18800
• DSSTox Substance ID: DTXSID001334985
• Nikkaji Number: J1.637.819D
• Mol file: 99229-76-2.mol

Synonyms:HQNUCAVPQHGDPJ-UHFFFAOYSA-L;IIXSEEPJRZFMLL-UHFFFAOYSA-L;DTXSID001334985;NS00078572;4-(2,5-Dihydro-5-thioxo-1H-tetrazol-1-yl)-benzoic acid sodium salt (1:2)

Chemical Property of 4-(2,5-Dihydro-5-thioxo-1H-tetrazol-1-yl)-benzoic acid sodium salt (1:2)

Chemical Property:

• PSA: 83.73000
• LogP: -1.06840
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 1
• Exact Mass: 265.98503512
• Heavy Atom Count: 17
• Complexity: 239

Purity/Quality:

95% ^*data from raw suppliers

1-(4-CARBOXYPHENYL)-5-MERCAPTOTETRAZOLE DISODIUM SALT 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1C(=O)[O-])N2C(=NN=N2)[S-].[Na+].[Na+]