Trimethylolpropane tris(thioglycolate)

Inquiry

Molecular Formula:

C12H20O6S3

Molecular Weight:

356.48

CAS Number:

10193-96-1

Catalog Number:

10193-96-1

Product Information

Molecular Formula:

C12H20O6S3

Molecular Weight:

356.48

Description

Trimethylolpropane tris(thioglycolate) is a biomedicine used in the drug development of various diseases. It exhibits potential antitumor activity against specific types of cancer, making it a promising candidate for targeted therapy. Additionally, it shows potential in the drug development of autoimmune disorders due to its immunomodulatory properties.

Synonyms

Acetic acid, 2-mercapto-, 1,1'-[2-ethyl-2-[[(2-mercaptoacetyl)oxy]methyl]-1,3-propanediyl] ester; 1,3-Propanediol, 2-ethyl-2-(hydroxymethyl)-, tris(mercaptoacetate); Acetic acid, mercapto-, 2-ethyl-2-[[(mercaptoacetyl)oxy]methyl]-1,3-propanediyl ester; Acetic acid, mercapto-, triester with 2-ethyl-2-(hydroxymethyl)-1,3-propanediol; 1,1,1-Trimethylolpropane-tris(2-mercaptoacetate); 2-Ethyl-2-[[(mercaptoacetyl)oxy]methyl]-1,3-propanediyl bis(mercaptoacetate); NSC 54090; Thiocure TMPMA; Trimethylolpropane tris(2-mercaptoacetate); Trimethylolpropane tris(3-mercaptoacetate); Trimethylolpropane tris(mercaptoacetate); Trimethylolpropane trithioglycolate

IUPAC Name

2,2-bis[(2-sulfanylacetyl)oxymethyl]butyl 2-sulfanylacetate

Canonical SMILES

CCC(COC(=O)CS)(COC(=O)CS)COC(=O)CS

InChI

InChI=1S/C12H20O6S3/c1-2-12(6-16-9(13)3-19,7-17-10(14)4-20)8-18-11(15)5-21/h19-21H,2-8H2,1H3

InChI Key

KAJBSGLXSREIHP-UHFFFAOYSA-N

Boiling Point

479.9±0.0°C at 760 mmHg

Purity

>80.0%(GC)

Density

1.276±0.06 g/cm3

Appearance

Colorless to yellow liquid

Refractive Index

1.53

Safety Information

Hazards

H302 + H312 + H332 H315 H319

Precautionary Statement

P501 P261 P270 P271 P264 P280 P337 + P313 P305 + P351 + P338 P362+P364 P332 + P313 P301 +P312 + P330 P302 + P352 + P312 P304 + P340 + P312

Computed Properties

XLogP3

1.9

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

356.04220187 g/mol

Monoisotopic Mass

356.04220187 g/mol

Topological Polar Surface Area

81.9Å²

Heavy Atom Count

Formal Charge

Complexity

311

Isotope Atom Count

Defined Atom Stereocenter Count

Undefined Atom Stereocenter Count

Defined Bond Stereocenter Count

Undefined Bond Stereocenter Count

Covalently-Bonded Unit Count

Compound Is Canonicalized

Yes

The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

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The dilution calculator equation

Concentration _(start) × Volume _(start) = Concentration _(final) × Volume _(final)

This equation is commonly abbreviated as: C₁V₁ = C₂V₂

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Trimethylolpropane tris(thioglycolate)

Product Information

Safety Information

Computed Properties

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