5-Sulfanylidene-2,5-dihydro-1H-tetrazole-1-carboxylic acid

Base Information

• Chemical Name: 5-Sulfanylidene-2,5-dihydro-1H-tetrazole-1-carboxylic acid
• CAS No.: 730915-04-5
• Molecular Formula: C2H2 N4 O2 S
• Molecular Weight: 146.13
• UN Number: 0448
• DSSTox Substance ID: DTXSID40597464
• Wikidata: Q82493008
• Mol file: 730915-04-5.mol

Synonyms:730915-04-5;SCHEMBL9303412;DTXSID40597464;5-Sulfanylidene-2,5-dihydro-1H-tetrazole-1-carboxylic acid;DB-268301;1H-TETRAZOLE-1-CARBOXYLIC ACID, 2,5-DIHYDRO-5-THIOXO-

Chemical Property of 5-Sulfanylidene-2,5-dihydro-1H-tetrazole-1-carboxylic acid

Chemical Property:

• PSA: 119.70000
• LogP: -0.51210
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 0
• Exact Mass: 145.98984649
• Heavy Atom Count: 9
• Complexity: 189
• Transport DOT Label: Explosive 1.4C

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1(=S)N=NNN1C(=O)O

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