Methyl 4-mercaptobutyrimidate

Base Information

• Chemical Name: Methyl 4-mercaptobutyrimidate
• CAS No.: 64821-63-2
• Molecular Formula: C₅H₁₁NOS
• Molecular Weight: 133.214
• Hs Code.: 2930909090
• UNII: 9ZQT0D3DBV
• DSSTox Substance ID: DTXSID30983418
• Wikidata: Q82970344
• Mol file: 64821-63-2.mol

Synonyms:2-iminothiolane;methyl 4-mercaptobutyrimidate;methyl 4-mercaptobutyrimidate hydrochloride

Chemical Property of Methyl 4-mercaptobutyrimidate

Chemical Property:

• Vapor Pressure: 2.17mmHg at 25°C
• Boiling Point: 168.2°C at 760 mmHg
• Flash Point: 55.5°C
• PSA: 71.88000
• Density: 1.07g/cm³
• LogP: 1.41980
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 133.05613515
• Heavy Atom Count: 8
• Complexity: 74.8

Purity/Quality:

METHYL-4-MERCAPTOBUTYRIMIDATE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=N)CCCS

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