Methyl 3-amino-4-cyano-5-(methylthio)thiophene-2-carboxylate

Base Information

• Chemical Name: Methyl 3-amino-4-cyano-5-(methylthio)thiophene-2-carboxylate
• CAS No.: 129332-45-2
• Molecular Formula: C8H8N2O2S2
• Molecular Weight: 228.296
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID20381025
• Nikkaji Number: J3.566.373H
• Wikidata: Q72486832
• Mol file: 129332-45-2.mol

Synonyms:129332-45-2;METHYL 3-AMINO-4-CYANO-5-(METHYLTHIO)THIOPHENE-2-CARBOXYLATE;methyl 3-amino-4-cyano-5-(methylsulfanyl)thiophene-2-carboxylate;methyl3-amino-4-cyano-5-(methylthio)thiophene-2-carboxylate;methyl 3-amino-4-cyano-5-methylsulfanylthiophene-2-carboxylate;3-Amino-4-cyano-5-methylsulfanylthiophene-2-carboxylic acid methyl ester;MFCD00052752;2-Thiophenecarboxylic acid, 3-amino-4-cyano-5-(methylthio)-, methyl ester;Maybridge1_009000;MixCom3_000251;SCHEMBL3401657;DTXSID20381025;BBL102437;STL556239;2-Thiophenecarboxylicacid, 3-amino-4-cyano-5-(methylthio)-, methyl ester;AKOS005256991;TS-00584;CS-0316550;FT-0628533;J3.566.373H;A805930;J-522667;Methyl 3-amino-4-cyano-5-(methylthio)-thiophene-2-carboxylate;Methyl 3-amino-4-cyano-5-(methylthio)thiophene-2carboxylate;methyl 3-amino-4-cyano-5-(methylsulfanyl)-2-thiophenecarboxylate;methyl 3-azanyl-4-cyano-5-methylsulfanyl-thiophene-2-carboxylate;methyl3-amino-4-cyano-5-(methylsulfanyl)thiophene-2-carboxylate;3-amino-4-cyano-5-(methylthio)-2-thiophenecarboxylic acid methyl ester;3-Amino-4-cyano-5-(methylthio)thiophene-2-carboxylic acid methyl ester;Methyl 3-amino-4-cyano-5-methylsulfanylthiophene-2-carboxylate, 97%

Chemical Property of Methyl 3-amino-4-cyano-5-(methylthio)thiophene-2-carboxylate

Chemical Property:

• Vapor Pressure: 5.11E-08mmHg at 25°C
• Melting Point: 203-207 °C
• Refractive Index: 1.63
• Boiling Point: 442.2 °C at 760 mmHg
• PKA: -1.20±0.10(Predicted)
• Flash Point: 221.2 °C
• PSA: 129.65000
• Density: 1.43 g/cm³
• LogP: 2.29168
• Storage Temp.: 2-8°C
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 3
• Exact Mass: 228.00271985
• Heavy Atom Count: 14
• Complexity: 276

Purity/Quality:

98%min ^*data from raw suppliers

Methyl3-Amino-4-cyano-5-(methylthio)thiophene-2-carboxylate ^*data from reagent suppliers

Safty Information:

• Pictogram(s): R20/21/22:Harmful by inhalation, in contact with skin and if swallowed.
• Hazard Codes: Xn
• Statements: 22-36/37/38
• Safety Statements: 26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)C1=C(C(=C(S1)SC)C#N)N