2-((Methylthio)methyl)-2-butenal

Base Information

• Chemical Name: 2-((Methylthio)methyl)-2-butenal
• CAS No.: 40878-72-6
• Molecular Formula: C6H10 O S
• Molecular Weight: 130.208
• European Community (EC) Number: 255-126-0
• UNII: L3MY5L63PW
• Wikidata: Q27282660
• Mol file: 40878-72-6.mol

Synonyms:2-((Methylthio)methyl)-2-butenal;FEMA No. 3601;2-[(Methylthio)methyl]-2-butenal;2-Butenal, 2-((methylthio)methyl)-;UNII-L3MY5L63PW;L3MY5L63PW;EINECS 255-126-0;2-(Methylthio)methyl-2-butenal;2-Ethylidene methional;40878-72-6;2-(Methylmercapto)methyl-2-butenal;2-Butenal, 2-[(methylthio)methyl]-;C6H10OS;C6-H10-O-S;2-Butenal , 2-[(methylthio)methyl]-;SCHEMBL3065067;IBSLHWQWKUNIJE-UTCJRWHESA-N;2-[(methylthio)-methyl]-2-butenal;2- (Methylmercaptomethyl)-crotonaldehyd;2-(METHYLTHIO) METHYL-2-BUTENAL [FHFI];Q27282660

Chemical Property of 2-((Methylthio)methyl)-2-butenal

Chemical Property:

• Vapor Pressure: 0.0896mmHg at 25°C
• Boiling Point: 224.8°Cat760mmHg
• Flash Point: 100.8°C
• PSA: 42.37000
• Density: 0.984g/cm³
• LogP: 1.49460
• XLogP3: 1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 130.04523611
• Heavy Atom Count: 8
• Complexity: 96.7

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

Useful:

• Canonical SMILES: CC=C(CSC)C=O
• Isomeric SMILES: C/C=C(\CSC)/C=O