2-(4,6-Dimethyl-pyrimidin-2-ylsulfanyl)-butyric acid

Base Information

• Chemical Name: 2-(4,6-Dimethyl-pyrimidin-2-ylsulfanyl)-butyric acid
• CAS No.: 433242-64-9
• Molecular Formula: C10H14 N2 O2 S
• Molecular Weight: 226.3
• Hs Code.: 2933599090
• DSSTox Substance ID: DTXSID30387811
• ChEMBL ID: CHEMBL1462743
• Mol file: 433242-64-9.mol

Synonyms:433242-64-9;2-(4,6-Dimethyl-pyrimidin-2-ylsulfanyl)-butyric acid;2-((4,6-Dimethylpyrimidin-2-yl)thio)butanoic acid;2-(4,6-dimethylpyrimidin-2-yl)sulfanylbutanoic acid;2-(4,6-dimethylpyrimidin-2-ylsulfanyl)butyric acid;2-(4,6-dimethylpyrimidin-2-ylthio)butanoic acid;MLS000112758;2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]butanoic acid;CHEMBL1462743;DTXSID30387811;HMS2483O08;AKOS000301068;AKOS016346830;SB58192;SMR000108667;FT-0644608;AB00122469-01;BRD-A04864286-001-07-2;2-(4,6-dimethyl-pyrimidin-2-ylsulfanyl)-butyric acid, AldrichCPR

Chemical Property of 2-(4,6-Dimethyl-pyrimidin-2-ylsulfanyl)-butyric acid

Chemical Property:

• Vapor Pressure: 1.5E-06mmHg at 25°C
• Boiling Point: 383°Cat760mmHg
• PKA: 3.50±0.10(Predicted)
• Flash Point: 185.4°C
• PSA: 88.38000
• Density: g/cm³
• LogP: 2.04870
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 226.07759887
• Heavy Atom Count: 15
• Complexity: 216

Purity/Quality:

97% ^*data from raw suppliers

2-(4,6-Dimethyl-pyrimidin-2-ylsulfanyl)-butyric acid ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi,T
• Statements: 25
• Safety Statements: 45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(C(=O)O)SC1=NC(=CC(=N1)C)C