2-(Methylthio)ethylamine - CAS 18542-42-2
Catalog: |
BB014226 |
Product Name: |
2-(Methylthio)ethylamine |
CAS: |
18542-42-2 |
Synonyms: |
2-methylsulfanylethanamine |
IUPAC Name: | 2-methylsulfanylethanamine |
Description: | 2-(Methylthio)ethylamine (CAS# 18542-42-2) is an intermediate used to prepare novel 2-aminobenzamide inhibitors of heat shock protein 90 as potent, selective and orally active antitumor agents.It is also used to synthesize potent, broad-spectrum non-nucleoside reverse transcriptase inhibitors belonging to the DABO family. |
Molecular Weight: | 91.18 |
Molecular Formula: | C3H9NS |
Canonical SMILES: | CSCCN |
InChI: | InChI=1S/C3H9NS/c1-5-3-2-4/h2-4H2,1H3 |
InChI Key: | CYWGSFFHHMQKET-UHFFFAOYSA-N |
Boiling Point: | 146-149 ℃ |
Purity: | 95 % |
Density: | 0.98 g/cm3 |
Appearance: | Clear colorless liquid |
Storage: | Flammables area |
MDL: | MFCD00014825 |
LogP: | 1.00840 |
GHS Hazard Statement: | H226 (100%): Flammable liquid and vapor [Warning Flammable liquids] |
Precautionary Statement: | P210, P233, P240, P241, P242, P243, P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P370+P378, P403+P235, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
WO-2015191505-A1 | Polydentate ligands and their complexes for molecular catalysis | 20140609 |
US-2015329542-A1 | Pyrazolopyridines and pyrazolopyrimidines | 20140514 |
WO-2015173683-A1 | Pyrazolopyridines and pyrazolopyrimidines | 20140514 |
WO-2015134998-A1 | Human plasma kallikrein inhibitors | 20140307 |
WO-2015066344-A1 | 5-ht2c receptor agonists and compositions and methods of use | 20131101 |
PMID | Publication Date | Title | Journal |
21094148 | 20101217 | Reversible inactivation of bovine plasma amine oxidase by cysteamine and related analogs | Biochemical and biophysical research communications |
18533035 | 20080604 | GPR17: molecular modeling and dynamics studies of the 3-D structure and purinergic ligand binding features in comparison with P2Y receptors | BMC bioinformatics |
Complexity: | 16.4 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 91.04557046 |
Formal Charge: | 0 |
Heavy Atom Count: | 5 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 91.04557046 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 51.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.1 |
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