Basic information
- CAS
105892-16-8- Standard SMILES
Cc1ccc(SCC(=O)[O-])cc1.[NH3+]CCO- InChIKey
IGBQDMIZUMHNIK-UHFFFAOYSA-N- Molecular formula
- C11H17NO3S
- Average molar mass
- 243.32 g/mol
- Monoisotopic mass
- 243.09291458
Names & identifiers
- Preferred name
- Acetic acid, ((4-methylphenyl)thio)-, compd. with 2-aminoethanol (1:1)
- IUPAC
- 2-hydroxyethylazanium;2-(4-methylphenyl)sulfanylacetate
Names & synonyms
((4-Methylphenyl)thio)acetic acid 2-aminoethanol (1:1)105892-16-8DTXSID20147406RefChem:315994DTXCID90698972-Hydroxyethan-1-aminium [(4-methylphenyl)sulfanyl]acetate
Database identifiers
- CAS
105892-16-8- PubChem CID
- 60050
- DTXSID
DTXSID20147406
Properties
Computed structural properties
- Topological polar surface area
- 113 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 155
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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