2-(2-Butyl)-4,5-dimethyl-3-thiazoline

Base Information

• Chemical Name: 2-(2-Butyl)-4,5-dimethyl-3-thiazoline
• CAS No.: 65894-82-8
• Molecular Formula: C9H17 N S
• Molecular Weight: 171.303
• Hs Code.: 2934100090
• European Community (EC) Number: 265-968-0
• DSSTox Substance ID: DTXSID1047156
• Nikkaji Number: J349.292C
• Metabolomics Workbench ID: 47797
• ChEMBL ID: CHEMBL3186526
• Mol file: 65894-82-8.mol

Synonyms:65894-82-8;2-(2-Butyl)-4,5-dimethyl-3-thiazoline;2-(sec-Butyl)-4,5-dimethyl-2,5-dihydrothiazole;2-butan-2-yl-4,5-dimethyl-2,5-dihydro-1,3-thiazole;2,5-Dihydro-4,5-dimethyl-2-(1-methylpropyl)thiazole;DTXSID1047156;2-(butan-2-yl)-4,5-dimethyl-2,5-dihydro-1,3-thiazole;2-sec-Butyl-4,5-dimethyl-3-thiazoline;FEMA No. 3619;EINECS 265-968-0;2-sec-Butyl-4,5-dimethyl thiazoline;3-Thiazoline, 2-sec-butyl-4,5-dimethyl-;Thiazole, 2,5-dihydro-4,5-dimethyl-2-(1-methylpropyl)-;UNII-0Y33EGH91P;SCHEMBL3508483;CHEMBL3186526;DTXCID9027156;FEMA 3619;CHEBI:179181;Tox21_302459;AKOS015898655;NCGC00256832-01;CAS-65894-82-8;2-sec-Butyl-4,5-dimethyl-3-thiazoline, AldrichCPR;W-109004

Chemical Property of 2-(2-Butyl)-4,5-dimethyl-3-thiazoline

Chemical Property:

• Appearance/Colour: liquid
• Vapor Pressure: 0.0862mmHg at 25°C
• Refractive Index: 1.483-1.488
• Boiling Point: 233.2 °C at 760 mmHg
• PKA: 6.97±0.60(Predicted)
• Flash Point: 94.8 °C
• PSA: 37.66000
• Density: 1.04 g/cm³
• LogP: 2.39040
• Storage Temp.: 2-8°C
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 171.10817072
• Heavy Atom Count: 11
• Complexity: 165

Purity/Quality:

99% ^*data from raw suppliers

2-(sec-Butyl)-4,5-dimethyl-2,5-dihydrothiazole 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(C)C1N=C(C(S1)C)C