2-(6-Amino-9H-purin-8-ylsulfanyl)-butyric acid

Base Information

• Chemical Name: 2-(6-Amino-9H-purin-8-ylsulfanyl)-butyric acid
• CAS No.: 436086-77-0
• Molecular Formula: C9H11N5O2S
• Molecular Weight: 252.28
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID00378251
• ChEMBL ID: CHEMBL1369205
• Mol file: 436086-77-0.mol

Synonyms:436086-77-0;2-(6-Amino-9H-purin-8-ylsulfanyl)-butyric acid;2-[(6-amino-7H-purin-8-yl)sulfanyl]butanoic acid;2-((6-Amino-9H-purin-8-yl)thio)butanoic acid;2-[(6-Amino-9H-Purin-8-yl)thio]butanoic acid;BAS 05307942;2-(6-aminopurin-8-ylthio)butanoic acid;MLS000715206;CHEMBL1369205;DTXSID00378251;HMS1617D22;HMS2726O21;AKOS000296930;AKOS016346838;CCG-117797;SMR000275185;FT-0644632;2-(6-amino-9H-purin-8-ylthio)butanoic acid;2-(6-amino-9h-purin-8-ylsulfanyl)butyric acid;BUTANOIC ACID,2-[(6-AMINO-9H-PURIN-8-YL)THIO]-

Chemical Property of 2-(6-Amino-9H-purin-8-ylsulfanyl)-butyric acid

Chemical Property:

• Vapor Pressure: 8.95E-14mmHg at 25°C
• Boiling Point: 568.8 °C at 760 mmHg
• Flash Point: 297.8 °C
• PSA: 143.08000
• Density: 1.57 g/cm³
• LogP: 1.47160
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 4
• Exact Mass: 253.06334578
• Heavy Atom Count: 17
• Complexity: 293

Purity/Quality:

99% ^*data from raw suppliers

2-(6-Amino-9H-purin-8-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=NC2=NC=NC(=C2N1)N