N-(2-Hydroxyethyl)-3-methylthiopropenamide

Base Information

• Chemical Name: N-(2-Hydroxyethyl)-3-methylthiopropenamide
• CAS No.: 100477-88-1
• Molecular Formula: C6H11 N O2 S
• Molecular Weight: 0
• Nikkaji Number: J185.431C,J2.808.007G
• Metabolomics Workbench ID: 127439
• ChEMBL ID: CHEMBL2235398
• Mol file: 100477-88-1.mol

Synonyms:entadamide A;N-(2-hydroxyethyl)-3-methylthiopropenamide

Chemical Property of N-(2-Hydroxyethyl)-3-methylthiopropenamide

Chemical Property:

• Vapor Pressure: 2.53E-07mmHg at 25°C
• Boiling Point: 379.7°Cat760mmHg
• Flash Point: 183.4°C
• PSA: 74.63000
• Density: 1.163g/cm³
• LogP: 0.36250
• XLogP3: -0.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 161.05104977
• Heavy Atom Count: 10
• Complexity: 125

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CSC=CC(=O)NCCO
• Isomeric SMILES: CS/C=C/C(=O)NCCO