Basic information
- CAS
87298-88-2- Standard SMILES
CCCSCC(=O)O.OCCN(CCO)CCO- InChIKey
QOARRBVZTGUCMV-UHFFFAOYSA-N- Molecular formula
- C11H25NO5S
- Average molar mass
- 283.39 g/mol
- Monoisotopic mass
- 283.14534407
Names & identifiers
- Preferred name
- Acetic acid, (propylthio)-, compd. with 2,2',2''-nitrilotris(ethanol) (1:1)
- IUPAC
- 2-[bis(2-hydroxyethyl)amino]ethanol;2-propylsulfanylacetic acid
Names & synonyms
87298-88-2(Propylthio)acetic acid 2,2',2''-nitrilotriethanol saltDTXSID70236258RefChem:316352DTXCID70158749(Propylsulfanyl)acetic acid--2,2',2''-nitrilotri(ethan-1-ol) (1/1)
Database identifiers
- CAS
87298-88-2- PubChem CID
- 55671
- DTXSID
DTXSID70236258
Properties
Computed structural properties
- Topological polar surface area
- 127 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 10
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 129
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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