Trimethylolpropane tris(3-mercaptopropionate) - CAS 33007-83-9
Catalog: |
BB021517 |
Product Name: |
Trimethylolpropane tris(3-mercaptopropionate) |
CAS: |
33007-83-9 |
Synonyms: |
2,2-bis(3-sulfanylpropanoyloxymethyl)butyl 3-sulfanylpropanoate |
IUPAC Name: | 2,2-bis(3-sulfanylpropanoyloxymethyl)butyl 3-sulfanylpropanoate |
Description: | Trimethylolpropane tris(3-mercaptopropionate) may be used in the following studies: Preparation of hydrogels, via crosslinking inulin derivatives; Construction of porous hybrid monolithic materials; As monomer for the preparation of a new thiol-ene based polymeric fluorescence sensor, via photo initiated polymerization. |
Molecular Weight: | 398.56 |
Molecular Formula: | C15H26O6S3 |
Canonical SMILES: | CCC(COC(=O)CCS)(COC(=O)CCS)COC(=O)CCS |
InChI: | InChI=1S/C15H26O6S3/c1-2-15(9-19-12(16)3-6-22,10-20-13(17)4-7-23)11-21-14(18)5-8-24/h22-24H,2-11H2,1H3 |
InChI Key: | IMQFZQVZKBIPCQ-UHFFFAOYSA-N |
Boiling Point: | 220 °C / 0.3 mmHg (lit.) |
Flash Point: | 96 °C (C.C) |
Purity: | ≥ 95.0 % |
Density: | 1.21 g/cm3 |
Appearance: | Colorless liquid |
LogP: | 1.97210 |
Refractive Index: | n20/D 1.518 (lit.) |
GHS Hazard Statement: | H315 (94.23%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
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PMID | Publication Date | Title | Journal |
18576285 | 20081008 | Hydrogels for potential colon drug release by thiol-ene conjugate addition of a new inulin derivative | Macromolecular bioscience |
16046232 | 20051201 | Thiol-ene oligomers as dental restorative materials | Dental materials : official publication of the Academy of Dental Materials |
Complexity: | 348 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 398.08915207 |
Formal Charge: | 0 |
Heavy Atom Count: | 24 |
Hydrogen Bond Acceptor Count: | 9 |
Hydrogen Bond Donor Count: | 3 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 398.08915207 |
Rotatable Bond Count: | 16 |
Topological Polar Surface Area: | 81.9 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.6 |
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