N-Acetyl-S-nitrosocysteine methyl ester

Base Information

• Chemical Name: N-Acetyl-S-nitrosocysteine methyl ester
• CAS No.: 72039-37-3
• Molecular Formula: C6H10N2O4S
• Molecular Weight: 206.222
• DSSTox Substance ID: DTXSID501253778
• Nikkaji Number: J2.875.938J
• Mol file: 72039-37-3.mol

Synonyms:SCHEMBL6555890;VLOYSCHNFPFSED-YFKPBYRVSA-N;DTXSID501253778;N-Acetyl-S-nitrosocysteine methyl ester;L-Cysteine, N-acetyl-S-nitroso-, methyl ester;(R)-methyl 2-acetamido-3-(nitrosothio)propanoate;72039-37-3

Chemical Property of N-Acetyl-S-nitrosocysteine methyl ester

Chemical Property:

• XLogP3: -0.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 5
• Exact Mass: 206.03612798
• Heavy Atom Count: 13
• Complexity: 209

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)NC(CSN=O)C(=O)OC
• Isomeric SMILES: CC(=O)N[C@@H](CSN=O)C(=O)OC