Thiomorpholine - CAS 123-90-0
Catalog: |
BB005758 |
Product Name: |
Thiomorpholine |
CAS: |
123-90-0 |
Synonyms: |
thiomorpholine |
IUPAC Name: | thiomorpholine |
Description: | N-(1,3-Benzodioxol-5-ylmethyl)-5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-amine Inhibits deregulated NRF2 transcriptional activity in cancer. |
Molecular Weight: | 103.19 |
Molecular Formula: | C4H9NS |
Canonical SMILES: | C1CSCCN1 |
InChI: | InChI=1S/C4H9NS/c1-3-6-4-2-5-1/h5H,1-4H2 |
InChI Key: | BRNULMACUQOKMR-UHFFFAOYSA-N |
Boiling Point: | 169 °C |
Melting Point: | 166-168 °C |
Purity: | 98 % |
Density: | 1.026 g/cm3 |
Appearance: | Clear colorless to yellow liquid |
Storage: | Keep container closed when not in use. Corrosives area. Do not expose to air. Store under nitrogen. Store in a cool, dry area away from incompatible substances. |
MDL: | MFCD00005974 |
LogP: | 0.65160 |
GHS Hazard Statement: | H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] |
Precautionary Statement: | P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
CN-112062804-A | Arenobufagin derivative, preparation method thereof, pharmaceutical composition and application | 20200731 |
WO-2021117846-A1 | Compound serving as pdgf receptor kinase inhibitor, and composition | 20191213 |
JP-2021080183-A | New lysophosphatidic acid derivative | 20191114 |
WO-2021095801-A1 | Azabenzimidazole compound and medicine | 20191113 |
WO-2021085631-A1 | Method for manufacturing fluoroacetic acid ester | 20191031 |
PMID | Publication Date | Title | Journal |
27101894 | 20160601 | Click-based synthesis and antitubercular evaluation of novel dibenzo[b,d]thiophene-1,2,3-triazoles with piperidine, piperazine, morpholine and thiomorpholine appendages | Bioorganic & medicinal chemistry letters |
23841542 | 20131101 | Copper(I) (pseudo)halide complexes with neocuproine and aminomethylphosphines derived from morpholine and thiomorpholine - in vitro cytotoxic and antimicrobial activity and the interactions with DNA and serum albumins | Chemical biology & drug design |
23437287 | 20130101 | Improved BM212 MmpL3 inhibitor analogue shows efficacy in acute murine model of tuberculosis infection | PloS one |
22620675 | 20120703 | Toward rational design of amine solutions for PCC applications: the kinetics of the reaction of CO2(aq) with cyclic and secondary amines in aqueous solution | Environmental science & technology |
21847610 | 20120601 | A convenient route to optically pure α-alkyl-β-(sec-amino)alanines | Amino acids |
Complexity: | 34.5 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 103.04557046 |
Formal Charge: | 0 |
Heavy Atom Count: | 6 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 103.04557046 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 37.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.2 |
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Morpholines/Thiomorpholines
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