2-(Methylthio)methyl-3-phenyl-2-propenal

Base Information

• Chemical Name: 2-(Methylthio)methyl-3-phenyl-2-propenal
• CAS No.: 100857-79-2
• Molecular Formula: C11H12 O S
• Molecular Weight: 192.28
• Nikkaji Number: J75.155C
• Wikidata: Q76327224
• Mol file: 100857-79-2.mol

Synonyms:2-(Methylthio)methyl-3-phenyl-2-propenal;(E)-3-[2-(methylsulfanylmethyl)phenyl]prop-2-enal;100857-79-2;CINNAMALDEHYDE, 2-(METHYLTHIO)METHYL-;LS-53834;3-[2-[(Methylthio)methyl]phenyl]propenal

Chemical Property of 2-(Methylthio)methyl-3-phenyl-2-propenal

Chemical Property:

• Vapor Pressure: 0.000182mmHg at 25°C
• Boiling Point: 329.1°Cat760mmHg
• Flash Point: 171.3°C
• Density: 1.101g/cm³
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 192.06088618
• Heavy Atom Count: 13
• Complexity: 177

Purity/Quality:

Safty Information:

• Pictogram(s):  
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MSDS Files:

Useful:

• Canonical SMILES: CSCC1=CC=CC=C1C=CC=O
• Isomeric SMILES: CSCC1=CC=CC=C1/C=C/C=O

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