2-Butenoic acid 3-(diethoxyphosphinothioyl)methyl ester

Base Information

• Chemical Name: 2-Butenoic acid 3-(diethoxyphosphinothioyl)methyl ester
• CAS No.: 57113-18-5
• Molecular Formula: C9H17O5PS
• DSSTox Substance ID: DTXSID90858835
• Wikidata: Q76386668

Synonyms:2-butenoic acid 3-(diethoxyphosphinothioyl)methyl ester;RPR 2;RPR II;RPR-2;RPR-II

Chemical Property of 2-Butenoic acid 3-(diethoxyphosphinothioyl)methyl ester

Chemical Property:

• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 8
• Exact Mass: 268.05343181
• Heavy Atom Count: 16
• Complexity: 292

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOP(=S)(OCC)OC(=CC(=O)OC)C
• Isomeric SMILES: CCOP(=S)(OCC)O/C(=C/C(=O)OC)/C

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