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

Base Information

• Chemical Name: 2-(4,6-Dimethyl-pyrimidin-2-ylsulfanyl)-propionic acid
• CAS No.: 433242-31-0
• Molecular Formula: C9H12N2O2S
• Molecular Weight: 212.27
• Hs Code.: 2933599090
• DSSTox Substance ID: DTXSID40378250
• ChEMBL ID: CHEMBL1414475
• Mol file: 433242-31-0.mol

Synonyms:433242-31-0;2-(4,6-Dimethyl-pyrimidin-2-ylsulfanyl)-propionic acid;2-((4,6-Dimethylpyrimidin-2-yl)thio)propanoic acid;2-(4,6-dimethylpyrimidin-2-yl)sulfanylpropanoic acid;2-[(4,6-dimethylpyrimidin-2-yl)thio]propanoic acid;2-(4,6-dimethylpyrimidin-2-ylthio)propanoic acid;2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]propanoic acid;Propanoicacid, 2-[(4,6-dimethyl-2-pyrimidinyl)thio]-;Cambridge id 6874077;TimTec1_007355;MLS000112580;CHEMBL1414475;DTXSID40378250;HMS1554O07;HMS2471P08;MFCD02244111;STK523425;AKOS000296921;AKOS016346829;SB58831;BS-37967;SMR000108492;CS-0314038;FT-0676718;A872719;AR-422/41345518;2-((4,6-Dimethylpyrimidin-2-yl)thio)propanoicacid;2-[(4,6-Dimethyl-2-pyrimidinyl)thio]propanoic acid;2-[(4,6-dimethyl-2-pyrimidinyl)sulfanyl]propanoic acid;2-[(4,6-Dimethyl-2-pyrimidinyl)sulfanyl]propanoic acid, AldrichCPR

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

Chemical Property:

• Vapor Pressure: 3.38E-06mmHg at 25°C
• Boiling Point: 372.1 °C at 760 mmHg
• Flash Point: 178.9 °C
• PSA: 88.38000
• Density: 1.27 g/cm³
• LogP: 1.65860
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 212.06194880
• Heavy Atom Count: 14
• Complexity: 203

Purity/Quality:

98%min ^*data from raw suppliers

2-[(4,6-Dimethylpyrimidin-2-yl)thio]propanoicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi,T
• Statements: 25
• Safety Statements: 45

MSDS Files:

Useful:

• Canonical SMILES: CC1=CC(=NC(=N1)SC(C)C(=O)O)C