Basic information
- CAS
105892-14-6- Standard SMILES
O=C(O)CSc1ccc(Cl)cc1Cl.OCCN(CCO)CCO- InChIKey
SMDAAINTKJEVPP-UHFFFAOYSA-N- Molecular formula
- C14H21Cl2NO5S
- Average molar mass
- 386.3 g/mol
- Monoisotopic mass
- 385.0517493
Names & identifiers
- Preferred name
- Acetic acid, ((2,4-dichlorophenyl)thio)-, compd. with 2,2',2''-nitrilotris(ethanol) (1:1)
- IUPAC
- 2-[bis(2-hydroxyethyl)amino]ethanol;2-(2,4-dichlorophenyl)sulfanylacetic acid
Names & synonyms
((2,4-Dichlorophenyl)thio)acetic acid 2,2',2''-nitrilotris(ethanol) (1:1)105892-14-6DTXSID00147404RefChem:315891DTXCID9069895[(2,4-Dichlorophenyl)sulfanyl]acetic acid--2,2',2''-nitrilotri(ethan-1-ol) (1/1)
Database identifiers
- CAS
105892-14-6- PubChem CID
- 60047
- DTXSID
DTXSID00147404
Properties
Computed structural properties
- Topological polar surface area
- 127 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 9
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 245
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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