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

Base Information

• Chemical Name: 2-(4,6-Diamino-pyrimidin-2-ylsulfanyl)-butyric acid
• CAS No.: 436088-61-8
• Molecular Formula: C8H12N4O2S
• Molecular Weight: 228.27
• Hs Code.: 2933599090
• DSSTox Substance ID: DTXSID60389883
• ChEMBL ID: CHEMBL1307619
• Mol file: 436088-61-8.mol

Synonyms:436088-61-8;2-(4,6-Diamino-pyrimidin-2-ylsulfanyl)-butyric acid;2-((4,6-Diaminopyrimidin-2-yl)thio)butanoic acid;2-(4,6-diaminopyrimidin-2-yl)sulfanylbutanoic acid;2-(4,6-diaminopyrimidin-2-ylsulfanyl)butyric acid;MLS000068546;BAS 03839416;2-(4,6-diaminopyrimidin-2-ylthio)butanoic acid;Oprea1_197457;Oprea1_439019;2-(4,6-Diamino-pyrimidin-2-ylsulfanyl)butyric acid;CHEMBL1307619;DTXSID60389883;HMS2371O20;STK365113;AKOS000301069;AKOS016346831;SB59453;SMR000122979;CS-0332266;FT-0644650;2-((4,6-Diaminopyrimidin-2-yl)thio)butanoicacid;A826358;SR-01000316037;SR-01000316037-1;(2R)-2-(4,6-diaminopyrimidin-2-yl)sulfanylbutanoate;2-[(4,6-diaminopyrimidin-2-yl)sulfanyl]butanoic acid

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

Chemical Property:

• Vapor Pressure: 2.09E-11mmHg at 25°C
• Boiling Point: 514.4°C at 760 mmHg
• PKA: 2.28±0.10(Predicted)
• Flash Point: 264.9°C
• PSA: 140.42000
• Density: 1.44g/cm³
• LogP: 1.75870
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 4
• Exact Mass: 228.06809681
• Heavy Atom Count: 15
• Complexity: 219

Purity/Quality:

98%min ^*data from raw suppliers

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

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

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