(Methylsulfonyl)acetonitrile - CAS 2274-42-2
Catalog: |
BB017735 |
Product Name: |
(Methylsulfonyl)acetonitrile |
CAS: |
2274-42-2 |
Synonyms: |
2-methylsulfonylacetonitrile |
IUPAC Name: | 2-methylsulfonylacetonitrile |
Description: | (Methylsulfonyl)acetonitrile (CAS# 2274-42-2) is used in preparation of substituted pyrimidinylamino isoquinoline and naphthyridine compounds as inhibitors of mutant forms of EGFR. |
Molecular Weight: | 119.14 |
Molecular Formula: | C3H5NO2S |
Canonical SMILES: | CS(=O)(=O)CC#N |
InChI: | InChI=1S/C3H5NO2S/c1-7(5,6)3-2-4/h3H2,1H3 |
InChI Key: | FOTRKCAZUSJCQD-UHFFFAOYSA-N |
Boiling Point: | 360.6 °C at 760 mmHg |
Density: | 1.288 g/cm3 |
MDL: | MFCD00014743 |
LogP: | 0.63538 |
GHS Hazard Statement: | H302 (93.62%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P312, P322, P330, P363, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021133809-A1 | Inhibitors of mutant forms of egfr | 20191223 |
CN-110183379-A | A kind of copper catalysis one kettle way prepares the synthetic method and application of C-4 sulfuryl substituted isoquinoline ketone compounds | 20190622 |
CN-110183379-B | Synthesis method and application of copper-catalyzed one-pot method for preparing C-4-sulfonyl substituted isoquinolone compounds | 20190622 |
WO-2020104558-A1 | Heterocyclic compounds and medical use thereof | 20181120 |
EP-3883931-A1 | Heterocyclic compounds and medical use thereof | 20181120 |
Complexity: | 177 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 119.00409958 |
Formal Charge: | 0 |
Heavy Atom Count: | 7 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 119.00409958 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 66.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -1.4 |
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