3-(Thian-3-yl)pentanedioic acid

Base Information

• Chemical Name: 3-(Thian-3-yl)pentanedioic acid
• CAS No.: 119725-84-7
• Molecular Formula: C10H16O4S
• Molecular Weight: 232.30
• DSSTox Substance ID: DTXSID90858471
• Mol file: 119725-84-7.mol

Synonyms:3-Thian-3-ylglutaric Acid;3-(Thian-3-yl)pentanedioic acid;119725-84-7;3-(Tetrahydro-2H-thiopyran-3-yl)pentanedioic Acid;starbld0009237;DTXSID90858471;CS-0271373;FT-0675151;EN300-1843681;J-004190

Chemical Property of 3-(Thian-3-yl)pentanedioic acid

Chemical Property:

• XLogP3: 0.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 232.07693016
• Heavy Atom Count: 15
• Complexity: 226

Purity/Quality:

97% ^*data from raw suppliers

3-Thian-3-ylglutaricAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1CC(CSC1)C(CC(=O)O)CC(=O)O
• Uses: A metabolite of Cycloxydim, a systematic cyclohexadione herbicide.