2-((3-((1-Methyl-1H-tetrazol-5-yl)thio)propyl)sulfinyl)pyridine

Base Information

• Chemical Name: 2-((3-((1-Methyl-1H-tetrazol-5-yl)thio)propyl)sulfinyl)pyridine
• CAS No.: 80087-19-0
• Molecular Formula: C10H13 N5 O S2
• Molecular Weight: 283.37
• DSSTox Substance ID: DTXSID501000957
• Mol file: 80087-19-0.mol

Synonyms:80087-19-0;2-((3-((1-Methyl-1H-tetrazol-5-yl)thio)propyl)sulfinyl)pyridine;3-(1-Methyl-1,2,3,4-tetrazol-5-yl)thiopropyl 2-pyridyl sulfoxide;Pyridine, 2-((3-((1-methyl-1H-tetrazol-5-yl)thio)propyl)sulfinyl)-;SCHEMBL10971340;C10H13N5OS2;VOXQTLOEQYFOPR-UHFFFAOYSA-N;DTXSID501000957;C10-H13-N5-O-S2;LS-131845;2-{3-[(1-Methyl-1H-tetrazol-5-yl)sulfanyl]propane-1-sulfinyl}pyridine

Chemical Property of 2-((3-((1-Methyl-1H-tetrazol-5-yl)thio)propyl)sulfinyl)pyridine

Chemical Property:

• Vapor Pressure: 2.52E-12mmHg at 25°C
• Boiling Point: 554.2°C at 760 mmHg
• PKA: 0.68±0.10(Predicted)
• Flash Point: 289°C
• PSA: 118.07000
• Density: 1.49g/cm³
• LogP: 1.76080
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 6
• Exact Mass: 283.05615240
• Heavy Atom Count: 18
• Complexity: 281

Purity/Quality:

PYRIDINE, 2-((3-((1-METHYL-1H-TETRAZOL-5-YL)THIO)PROPYL)SULFINYL)- 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1C(=NN=N1)SCCCS(=O)C2=CC=CC=N2