2-Cyano-3,3-bis-methylsulfanyl-acrylic acidmethyl ester

• Catalog Number: ACM3490924
• Product Name: 2-Cyano-3,3-bis-methylsulfanyl-acrylic acidmethyl ester
• CAS: 3490-92-4
• Category: Main Products
• Synonyms: NSC266105, CID319957, ZINC00132048, SR-01000633617-1, 3490-92-4
• IUPAC Name: methyl 2-cyano-3,3-bis(methylsulfanyl)prop-2-enoate
• Molecular Weight: 203.28
• Molecular Formula: C₇H₉NO₂S₂
• Canonical SMILES: COC(=O)C(=C(SC)SC)C#N
• InChI Key: SJDBEROAEMAOJW-UHFFFAOYSA-N
• Boiling Point: 300.8ºC at 760mmHg
• Melting Point: 85ºC
• Flash Point: 135.7ºC
• Density: 1.254g/cm³
• Exact Mass: 203.00700
• H-Bond Acceptor: 3
• H-Bond Donor: 0

Custom Q&A

What is the chemical formula of the keyword?

The chemical formula of the keyword is C7H9NO2S2.

What is the molecular weight of the keyword?

The molecular weight of the keyword is 203.3 g/mol.

What is the IUPAC name of the keyword?

The IUPAC name of the keyword is methyl 2-cyano-3,3-bis(methylsulfanyl)prop-2-enoate.

What is the InChI of the keyword?

The InChI of the keyword is InChI=1S/C7H9NO2S2/c1-10-6(9)5(4-8)7(11-2)12-3/h1-3H3.

What is the InChIKey of the keyword?

The InChIKey of the keyword is SJDBEROAEMAOJW-UHFFFAOYSA-N.

What is the canonical SMILES of the keyword?

The canonical SMILES of the keyword is COC(=O)C(=C(SC)SC)C#N.

What is the CAS number of the keyword?

The CAS number of the keyword is 3490-92-4.

What is the European Community (EC) Number of the keyword?

The European Community (EC) Number of the keyword is 640-355-4.

What is the DSSTox Substance ID of the keyword?

The DSSTox Substance ID of the keyword is DTXSID10313052.

What is the XLogP3-AA value of the keyword?

The XLogP3-AA value of the keyword is 1.5.