3-[(1,3-Benzothiazol-2(3H)-ylidene)amino]propanoate

Base Information

• Chemical Name: 3-[(1,3-Benzothiazol-2(3H)-ylidene)amino]propanoate
• CAS No.: 104344-75-4
• Molecular Formula: C10H10 N2 O2 S
• Molecular Weight: 221.2562
• Hs Code.: 2934200090
• DSSTox Substance ID: DTXSID00908931
• Mol file: 104344-75-4.mol

Synonyms:DTXSID00908931;3-[(1,3-Benzothiazol-2(3H)-ylidene)amino]propanoate

Chemical Property of 3-[(1,3-Benzothiazol-2(3H)-ylidene)amino]propanoate

Chemical Property:

• Vapor Pressure: 6.41E-08mmHg at 25°C
• Boiling Point: 423.3°Cat760mmHg
• Flash Point: 209.8°C
• PSA: 90.46000
• Density: g/cm³
• LogP: 2.25590
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 221.03847371
• Heavy Atom Count: 15
• Complexity: 232

Purity/Quality:

98%min ^*data from raw suppliers

3-[(1,3-Benzothiazol-2-yl)amino]propanoicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi,Xn
• Statements: 22

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)N=C(S2)NCCC(=O)[O-]