1-Nitroso-5,6-dihydrothymine

Base Information

• Chemical Name: 1-Nitroso-5,6-dihydrothymine
• CAS No.: 62641-67-2
• Molecular Formula: C5H7N3O3
• Molecular Weight: 157.15
• UNII: V93W626H42
• DSSTox Substance ID: DTXSID1020988
• Nikkaji Number: J59.682E
• Mol file: 62641-67-2.mol

Synonyms:1-nitroso-5,6-dihydrothymine;NDHT

Chemical Property of 1-Nitroso-5,6-dihydrothymine

Chemical Property:

• Refractive Index: 1.6190 (estimate)
• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 82.33000
• Density: 1.64g/cm³
• LogP: 0.06950
• XLogP3: -0.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 157.04874109
• Heavy Atom Count: 11
• Complexity: 215

Purity/Quality:

99% ^*data from raw suppliers

1-NITROSO-5,6-DIHYDROTHYMINE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1CN(C(=O)NC1=O)N=O