4-(Methylsulfanyl)but-2-enoic acid

Base Information

• Chemical Name: 4-(Methylsulfanyl)but-2-enoic acid
• CAS No.: 81085-35-0
• Molecular Formula: C₅H₈O₂S
• Molecular Weight: 132.183
• European Community (EC) Number: 886-866-8

Synonyms:4-(methylsulfanyl)but-2-enoic acid;81085-35-0;SCHEMBL10554491;(E)-4-methylsulfanylbut-2-enoic acid;AKOS011626906;EN300-208911

Chemical Property of 4-(Methylsulfanyl)but-2-enoic acid

Chemical Property:

• XLogP3: 0.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 132.02450067
• Heavy Atom Count: 8
• Complexity: 98.6

Purity/Quality:

Safty Information:

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MSDS Files:

Useful:

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

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