Benzothiophene-2-carbonitrile - CAS 55219-11-9
Catalog: |
BB028953 |
Product Name: |
Benzothiophene-2-carbonitrile |
CAS: |
55219-11-9 |
Synonyms: |
1-benzothiophene-2-carbonitrile; 1-benzothiophene-2-carbonitrile |
IUPAC Name: | 1-benzothiophene-2-carbonitrile |
Description: | Benzothiophene-2-carbonitrile (CAS# 55219-11-9) is a useful research chemical. |
Molecular Weight: | 159.21 |
Molecular Formula: | C9H5NS |
Canonical SMILES: | C1=CC=C2C(=C1)C=C(S2)C#N |
InChI: | InChI=1S/C9H5NS/c10-6-8-5-7-3-1-2-4-9(7)11-8/h1-5H |
InChI Key: | RCYHXESNWFYTCU-UHFFFAOYSA-N |
Boiling Point: | 140 °C / 0.5 mmHg |
Density: | 1.28 g/cm3 |
MDL: | MFCD09751294 |
LogP: | 2.77298 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P280, P301+P312, P305+P351+P338, P330, P337+P313, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-112574054-A | Efficient nitriding reagent and application thereof | 20190930 |
CN-108727362-A | The synthesis and application of a kind of solid fluorescence small molecule | 20180801 |
WO-2019133633-A1 | Composition including multiple terminally functionalized polymers | 20171230 |
EP-3732210-A1 | Composition including multiple terminally functionalized polymers | 20171230 |
US-2020369791-A1 | Composition Including Multiple Terminally Functionalized Polymers | 20171230 |
PMID | Publication Date | Title | Journal |
19781951 | 20091015 | Synthesis and evaluation of benzo[b]thiophene derivatives as inhibitors of alkaline phosphatases | Bioorganic & medicinal chemistry |
Complexity: | 193 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 159.01427034 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 159.01427034 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 52 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3 |
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