2-Butenoic acid, 2-isothiocyanato-3-methyl-, ethyl ester

Base Information

• Chemical Name: 2-Butenoic acid, 2-isothiocyanato-3-methyl-, ethyl ester
• CAS No.: 51110-21-5
• Molecular Formula: C₈H₁₁NO₂S
• Molecular Weight: 185.247
• DSSTox Substance ID: DTXSID00487534

Synonyms:51110-21-5;2-Butenoic acid, 2-isothiocyanato-3-methyl-, ethyl ester;DTXSID00487534

Chemical Property of 2-Butenoic acid, 2-isothiocyanato-3-methyl-, ethyl ester

Chemical Property:

• XLogP3: 3.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 185.05104977
• Heavy Atom Count: 12
• Complexity: 248

Purity/Quality:

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C(=C(C)C)N=C=S

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