2-Methylthio-N(6)-(N-threonylcarbonyl)adenine

Base Information

• Chemical Name: 2-Methylthio-N(6)-(N-threonylcarbonyl)adenine
• CAS No.: 132603-04-4
• Molecular Formula: C11H14 N6 O4 S
• Molecular Weight: 326.33
• DSSTox Substance ID: DTXSID10157655
• Wikidata: Q83025809
• Mol file: 132603-04-4.mol

Synonyms:2-methylthio-N(6)-(N-threonylcarbonyl)adenine;mS(2)tc(6)Ade

Chemical Property of 2-Methylthio-N(6)-(N-threonylcarbonyl)adenine

Chemical Property:

• Boiling Point: °Cat760mmHg
• PKA: 3.78±0.10(Predicted)
• Flash Point: °C
• PSA: 185.14000
• Density: 1.63g/cm³
• LogP: -0.34340
• XLogP3: -0.3
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 5
• Exact Mass: 326.07972412
• Heavy Atom Count: 22
• Complexity: 427

Purity/Quality:

98%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C(C(=O)O)NC(=O)NC1=NC(=NC2=C1NC=N2)SC)O
• Isomeric SMILES: C[C@@H]([C@H](C(=O)O)NC(=O)NC1=NC(=NC2=C1NC=N2)SC)O