3,3'-Thiodipropionic acid - CAS 111-17-1
Catalog: |
BB002729 |
Product Name: |
3,3'-Thiodipropionic acid |
CAS: |
111-17-1 |
Synonyms: |
3-(2-carboxyethylsulfanyl)propanoic acid |
IUPAC Name: | 3-(2-carboxyethylsulfanyl)propanoic acid |
Description: | 3,3'-Thiodipropionic acid (CAS# 111-17-1) is a useful research chemical. |
Molecular Weight: | 178.21 |
Molecular Formula: | C6H10O4S |
Canonical SMILES: | C(CSCCC(=O)O)C(=O)O |
InChI: | InChI=1S/C6H10O4S/c7-5(8)1-3-11-4-2-6(9)10/h1-4H2,(H,7,8)(H,9,10) |
InChI Key: | ODJQKYXPKWQWNK-UHFFFAOYSA-N |
Boiling Point: | 409.3 °C at 760 mmHg |
Melting Point: | 130-133 °C |
Purity: | 95 % |
Density: | 1.362 g/cm3 |
Solubility: | Freely sol in hot water, Alc, Acetone; 1 g dissolves in 26.9 ml water at 26 °c |
Appearance: | White crystalline powder |
Storage: | Keep container closed when not in use. Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances. |
MDL: | MFCD00002781 |
LogP: | 0.66900 |
Vapor Pressure: | 0.0000143 [mmHg] |
GHS Hazard Statement: | H318 (66.67%): Causes serious eye damage [Danger Serious eye damage/eye irritation] |
Precautionary Statement: | P264, P280, P305+P351+P338, P310, and P337+P313 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
US-10766885-B1 | Silibinin 3,3′-thiodipropionic acid ester with hepatoprotective activity and a method of preparing the same | 20200511 |
EP-3839002-A1 | Hot-melt adhesive composition | 20191220 |
WO-2021122684-A1 | Dodecandien-1-ol and dodecen-1-ol or mixtures thereof as aroma chemicals | 20191220 |
WO-2021123070-A1 | Hot-melt adhesive composition | 20191220 |
WO-2021124115-A1 | Electrically conductive masking tape | 20191220 |
PMID | Publication Date | Title | Journal |
22289022 | 20120227 | Toward a detailed description of the pathways of allosteric communication in the GroEL chaperonin through atomistic simulation | Biochemistry |
21469165 | 20111101 | Identification of potential biomarkers for predicting acute dermal irritation by proteomic analysis | Journal of applied toxicology : JAT |
20924576 | 20101101 | Investigations on the microbial catabolism of the organic sulfur compounds TDP and DTDP in Ralstonia eutropha H16 employing DNA microarrays | Applied microbiology and biotechnology |
21535512 | 20101001 | Properties of bread dough with added fiber polysaccharides and phenolic antioxidants: a review | Journal of food science |
20634504 | 20100701 | Final safety assessment of thiodipropionic acid and its dialkyl esters as used in cosmetics | International journal of toxicology |
Complexity: | 130 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 178.02997997 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 178.02997997 |
Rotatable Bond Count: | 6 |
Topological Polar Surface Area: | 99.9 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.1 |
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