Midesteine

Base Information

• Chemical Name: Midesteine
• CAS No.: 94149-41-4
• Molecular Formula: C12H13NO3S3
• Molecular Weight: 0
• UNII: 90K2YE9FTO
• DSSTox Substance ID: DTXSID00869194
• Nikkaji Number: J356.934I
• Wikidata: Q27271333
• NCI Thesaurus Code: C175137
• Pharos Ligand ID: CMBNY5NRPJ2G
• ChEMBL ID: CHEMBL1808549
• Mol file: 94149-41-4.mol

Synonyms:(2-(3-thiophencarboxythio)-N-(dihydro-2(3H)-thiophenone-3-I))propionamide;midesteine;MR 889;MR-889;MR889;N-(S-(2-thiophenecarbonyl)-2-mercaptopropionyl)homocysteine lactone

Chemical Property of Midesteine

Chemical Property:

• Vapor Pressure: 1.54E-12mmHg at 25°C
• Boiling Point: 559.3°C at 760 mmHg
• Flash Point: 292°C
• PSA: 142.08000
• Density: 1.42g/cm³
• LogP: 2.54920
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 5
• Exact Mass: 315.00575680
• Heavy Atom Count: 19
• Complexity: 388

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C(=O)NC1CCSC1=O)SC(=O)C2=CC=CS2

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