Propargyl-Tos - CAS 23418-85-1
Catalog: |
BB018049 |
Product Name: |
Propargyl-Tos |
CAS: |
23418-85-1 |
Synonyms: |
3-Butynyl p-toluenesulfonate; but-3-ynyl 4-methylbenzenesulfonate; but-3-yn-1-yl 4-methylbenzenesulfonate; 3-butynyl tosylate; 3-butynyl 4-methylbenzenesulfonate; 3-butynyl 4-toluenesulfonate; Propargyl-Tos; p-Toluenesulfonic Acid 3-Butynyl Ester |
IUPAC Name: | but-3-ynyl 4-methylbenzenesulfonate |
Description: | Propargyl-Tos is a cleavable ADC linker that can be used to synthesize antibody drug conjugates (ADC). |
Molecular Weight: | 224.28 |
Molecular Formula: | C11H12O3S |
Canonical SMILES: | CC1=CC=C(C=C1)S(=O)(=O)OCCC#C |
InChI: | InChI=1S/C11H12O3S/c1-3-4-9-14-15(12,13)11-7-5-10(2)6-8-11/h1,5-8H,4,9H2,2H3 |
InChI Key: | STOASOOVVADOKH-UHFFFAOYSA-N |
Boiling Point: | 352 °C at 760 mmHg |
Density: | 1.012 g/cm3 |
Appearance: | Liquid |
MDL: | MFCD00041687 |
LogP: | 2.80440 |
GHS Hazard Statement: | H315 (100%): 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 |
CN-112778838-A | Inorganic nano material printing ink and preparation method thereof | 20201207 |
WO-2021205391-A1 | Targeted protease degradation (ted) platform | 20200409 |
WO-2021105497-A1 | Small-molecule nadph oxidase 2 inhibitors | 20191129 |
US-2020388879-A1 | Silicon-based energy storage devices with functionalized linear sulfonate ester derivative compound containing electrolyte additives | 20190605 |
WO-2020214336-A2 | Sulfur-heterocycle exchange chemistry and uses thereof | 20190321 |
PMID | Publication Date | Title | Journal |
19939684 | 20100201 | Evaluation of 4-[(18)F]fluoro-1-butyne as a radiolabeled synthon for click chemistry with azido compounds | Applied radiation and isotopes : including data, instrumentation and methods for use in agriculture, industry and medicine |
Complexity: | 323 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 224.05071541 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 224.05071541 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 51.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2 |
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