2-Amino-3-methyl-3-sulfino-4-(1H-1,2,3-triazol-1-yl)butanoic acid

Base Information

• Chemical Name: 2-Amino-3-methyl-3-sulfino-4-(1H-1,2,3-triazol-1-yl)butanoic acid
• CAS No.: 118175-11-4
• Molecular Formula: C7H12N4O4S
• Molecular Weight: 248
• Hs Code.: 2933999552
• DSSTox Substance ID: DTXSID901186747
• Mol file: 118175-11-4.mol

Synonyms:118175-11-4;2-Amino-3-methyl-3-sulfino-4-(1H-1,2,3-triazol-1-yl)butanoic acid;alpha-Amino-beta-methyl-beta-sulfino-1H-1,2,3-triazole-1-butanoic Acid;2-aMino-3-Methyl-3-sulfino-4-(1H-1,2,3-triazol-1-yl)butyric acid;2-amino-3-methyl-3-sulfino-4-(triazol-1-yl)butanoic acid;[S-(R*,R*)]-alpha-Amino-beta-methyl-beta-sulfino-1H-1,2,3-triazole-1-butanoic Acid;SCHEMBL8611647;HTKDZWPPZOALOH-UHFFFAOYSA-N;DTXSID901186747;AMG-90903;BS-45012;CS-0154042;D80442;EN300-180720;J-003720;Amino-3-methyl-3-sulfino-4-(triazol-1-yl)butanoic acid;alpha-Amino-beta--methyl-beta--sulfino-1H-1,2,3-triazole-1-butanoic Acid

Chemical Property of 2-Amino-3-methyl-3-sulfino-4-(1H-1,2,3-triazol-1-yl)butanoic acid

Chemical Property:

• Boiling Point: 591.3±60.0 °C(Predicted)
• PKA: 2.14±0.12(Predicted)
• PSA: 150.54000
• Density: 1.78±0.1 g/cm3(Predicted)
• LogP: 0.23640
• Storage Temp.: -20°C
• Solubility.: Aqueous Base (Sparingly), DMSO (Slightly),Methanol (Slightly)
• XLogP3: -4.6
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 5
• Exact Mass: 248.05792605
• Heavy Atom Count: 16
• Complexity: 302

Purity/Quality:

98.5% ^*data from raw suppliers

α-Amino-β-methyl-β-sulfino-1H-1,2,3-triazole-1-butanoicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(CN1C=CN=N1)(C(C(=O)O)N)S(=O)O
• Uses: Tazobactam Impurity A is used for preparation of Tazobactam (T010095), which is a β-Lactamase inhibitor, used with β-lactam antibiotics to enhance their effect.