(Thiobis(p-phenylenethio))diacetic acid 2,2',2''-nitrilotriethanol salt (1:2)

bis(2-[bis(2-hydroxyethyl)amino]ethanol);2-[4-[4-(carboxymethylsulfanyl)phenyl]sulfanylphenyl]sulfanylacetic acid

CAS: 87299-01-2

Molecular Formula	`C28H44N2O10S3`
Molecular Weight	664.9 g/mol
Topological Polar Surface Area	278.0 A2
Hydrogen Bond Donors	8
Hydrogen Bond Acceptors	15
Rotatable Bonds	20
Exact Mass	664.2158
Heavy Atoms	43
Complexity	409.0

Chemical Identifiers

CAS Number	87299-01-2
SMILES	`C1=CC(=CC=C1SCC(=O)O)SC2=CC=C(C=C2)SCC(=O)O.C(CO)N(CCO)CCO.C(CO)N(CCO)CCO`
InChIKey	`OZUAMBGRGLTACU-UHFFFAOYSA-N`

📖 Product Overview

(Thiobis(p-phenylenethio))diacetic acid 2,2',2''-nitrilotriethanol salt (1:2) (CAS: 87299-01-2) is a chemical compound with molecular formula C28H44N2O10S3 and molecular weight 664.9 g/mol. Its IUPAC systematic name is bis(2-[bis(2-hydroxyethyl)amino]ethanol);2-[4-[4-(carboxymethylsulfanyl)phenyl]sulfanylphenyl]sulfanylacetic acid. Topological Polar Surface Area 278.0 A2 Hydrogen Bond Donors 8 Hydrogen Bond Acceptors 15 Rotatable Bonds 20 Exact Mass 664.2158 Heavy Atoms 43 Complexity 409.0 InChI Key: OZUAMBGRGLTACU-UHFFFAOYSA-N. SMILES: C1=CC(=CC=C1SCC(=O)O)SC2=CC=C(C=C2)SCC(=O)O.C(CO)N(CCO)CCO.C(CO)N(CCO)CCO.

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