Acetic acid, (thiobis(p-phenylenethio))di-, compd. with 2,2',2''-nitrilotris(ethanol) (1:2)

HCID 55684

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 87299-01-2
Standard SMILES: O=C(O)CSc1ccc(Sc2ccc(SCC(=O)O)cc2)cc1.OCCN(CCO)CCO.OCCN(CCO)CCO
InChIKey: OZUAMBGRGLTACU-UHFFFAOYSA-N
Molecular formula: C28H44N2O10S3
Average molar mass: 664.9 g/mol
Monoisotopic mass: 664.21580913

Names & identifiers

Preferred name: Acetic acid, (thiobis(p-phenylenethio))di-, compd. with 2,2',2''-nitrilotris(ethanol) (1:2)
IUPAC: bis(2-[bis(2-hydroxyethyl)amino]ethanol);2-[4-[4-(carboxymethylsulfanyl)phenyl]sulfanylphenyl]sulfanylacetic acid

Names & synonyms

(Thiobis(p-phenylenethio))diacetic acid 2,2',2''-nitrilotriethanol salt (1:2)87299-01-2DTXSID20236268RefChem:316357DTXCID201587592,2'-[Sulfanediylbis(4,1-phenylenesulfanediyl)]diacetic acid--2,2',2''-nitrilotri(ethan-1-ol) (1/2)

Database identifiers

CAS: 87299-01-2
PubChem CID: 55684
DTXSID: DTXSID20236268

Properties

Computed structural properties

Topological polar surface area: 278 Å²
Hydrogen bond donors: 8
Hydrogen bond acceptors: 15
Rotatable bonds: 20
Heavy atoms: 43
Formal charge: 0
Complexity: 409

Related reactions

0 records

New reaction record

No reaction records under the current filter.

Compound notes

Loading…