Methyl 2-isocyanatothiophene-3-carboxylate

Base Information

• Chemical Name: Methyl 2-isocyanatothiophene-3-carboxylate
• CAS No.: 50502-27-7
• Molecular Formula: C7H5NO3S
• Molecular Weight: 183.18400
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID00603292
• Mol file: 50502-27-7.mol

Synonyms:methyl 2-isocyanatothiophene-3-carboxylate;50502-27-7;SCHEMBL10706597;DTXSID00603292;BBL037668;MFCD09971935;STK502570;AKOS005171105;VS-14354;DB-351874;EN300-317562;methyl 2-isocyanatothiophene-3-carboxylate, AldrichCPR

Chemical Property of Methyl 2-isocyanatothiophene-3-carboxylate

Chemical Property:

• PSA: 83.97000
• LogP: 1.50200
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 182.99901420
• Heavy Atom Count: 12
• Complexity: 225

Purity/Quality:

98%min ^*data from raw suppliers

Methyl2-Isocyanatothiophene-3-carboxylate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)C1=C(SC=C1)N=C=O