2-{[(2S)-2-hydroxypropyl]sulfanyl}ethanesulfonic acid

Base Information

• Chemical Name: 2-{[(2S)-2-hydroxypropyl]sulfanyl}ethanesulfonic acid
• CAS No.: 244301-87-9
• Molecular Formula: C5H12O4S2
• DSSTox Substance ID: DTXSID90332069
• Nikkaji Number: J2.774.704C
• Wikidata: Q27102971
• Metabolomics Workbench ID: 51220
• Mol file: 244301-87-9.mol

Synonyms:(S)-2-Hydroxypropyl-CoM;2-{[(2S)-2-hydroxypropyl]sulfanyl}ethanesulfonic acid;(2S)-2-hydroxypropyl-CoM;244301-87-9;CHEBI:18288;DTXSID90332069;Q27102971;1HS

Chemical Property of 2-{[(2S)-2-hydroxypropyl]sulfanyl}ethanesulfonic acid

Chemical Property:

• XLogP3: -0.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 200.01770121
• Heavy Atom Count: 11
• Complexity: 181

Purity/Quality:

Safty Information:

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(CSCCS(=O)(=O)O)O
• Isomeric SMILES: C[C@@H](CSCCS(=O)(=O)O)O

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