Isothiazol-3-amine

Base Information

• Chemical Name: Isothiazol-3-amine
• CAS No.: 4592-62-5
• Molecular Formula: C₃H₄N₂S
• Molecular Weight: 100.144
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID20511108
• Wikidata: Q82369726
• Mol file: 4592-62-5.mol

Synonyms:isothiazol-3-amine;4592-62-5;1,2-Thiazol-3-amine;3-aminoisothiazole;aminoisothiazole;Isothiazol-?3-?aMine;SCHEMBL456085;DTXSID20511108;IYCKMNAVTMOAKD-UHFFFAOYSA-N;AKOS006348480;CS-0054971;FT-0733392;EN300-245380;J-521602

Chemical Property of Isothiazol-3-amine

Chemical Property:

• Melting Point: 33-34 °C
• Boiling Point: 103.0±23.0 °C(Predicted)
• PKA: 5.44±0.10(Predicted)
• PSA: 67.88000
• Density: 1.345±0.06 g/cm3(Predicted)
• LogP: 0.65540
• Storage Temp.: 2-8°C(protect from light)
• XLogP3: 0.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 100.00951931
• Heavy Atom Count: 6
• Complexity: 48.1

Purity/Quality:

≥95% ^*data from raw suppliers

isothiazol-3-aminehydrochloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CSN=C1N