2-(1,3-Benzoxazol-2-ylthio)butanoic acid

Base Information

• Chemical Name: 2-(1,3-Benzoxazol-2-ylthio)butanoic acid
• CAS No.: 339551-18-7
• Molecular Formula: C11H11NO3S
• Molecular Weight: 237.27
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID20386797
• ChEMBL ID: CHEMBL1731252
• Mol file: 339551-18-7.mol

Synonyms:2-(1,3-benzoxazol-2-ylthio)butanoic acid;339551-18-7;2-(1,3-benzoxazol-2-ylsulfanyl)butanoic acid;ASISCHEM C75274;2-(Benzo[d]oxazol-2-ylthio)butanoic acid;ChemDiv3_011756;CBKinase1_001151;CBKinase1_013551;MLS000673230;CHEMBL1731252;DTXSID20386797;REGID_for_CID_2872676;HMS1506G08;HMS2665A13;STK523446;AKOS001853759;AKOS017259851;CCG-144355;IDI1_029314;SMR000314471;SR-01000221860;SR-01000221860-1

Chemical Property of 2-(1,3-Benzoxazol-2-ylthio)butanoic acid

Chemical Property:

• Vapor Pressure: 4.72E-07mmHg at 25°C
• Boiling Point: 398.1°C at 760 mmHg
• PKA: 3.31±0.10(Predicted)
• Flash Point: 194.6°C
• PSA: 88.63000
• Density: 1.36g/cm³
• LogP: 2.78310
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 237.04596439
• Heavy Atom Count: 16
• Complexity: 262

Purity/Quality:

98% ^*data from raw suppliers

2-(1,3-BENZOXAZOL-2-YLTHIO)BUTANOIC ACID 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(C(=O)O)SC1=NC2=CC=CC=C2O1