2-Acetyl-5-iodothiophene - CAS 30955-94-3
Catalog: |
BB020757 |
Product Name: |
2-Acetyl-5-iodothiophene |
CAS: |
30955-94-3 |
Synonyms: |
1-(5-iodothiophen-2-yl)ethanone |
IUPAC Name: | 1-(5-iodothiophen-2-yl)ethanone |
Description: | 2-Acetyl-5-iodothiophene (CAS# 30955-94-3) is a useful research chemical. |
Molecular Weight: | 252.07 |
Molecular Formula: | C6H5IOS |
Canonical SMILES: | CC(=O)C1=CC=C(S1)I |
InChI: | InChI=1S/C6H5IOS/c1-4(8)5-2-3-6(7)9-5/h2-3H,1H3 |
InChI Key: | XBUCSKKBSJSRLJ-UHFFFAOYSA-N |
Boiling Point: | 306.2 °C at 760 mmHg |
Purity: | 98 % |
Density: | 1.902 g/cm3 |
Appearance: | Solid |
MDL: | MFCD02093967 |
LogP: | 2.55530 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P285, P302+P352, P304+P340, P304+P341, P305+P351+P338, P312, P321, P332+P313, P337+P313, P342+P311, P362, P403+P233, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
WO-2019204477-A1 | Pd(ii)-catalyzed enantioselective c-h arylation of free carboxylic acids | 20180419 |
CN-112312902-A | Pd (II) -catalyzed enantioselective C-H arylation of free carboxylic acids | 20180419 |
US-2021087131-A1 | Pd(ii)-catalyzed enantioselective c-h arylation of free carboxylic acids | 20180419 |
US-11021427-B2 | Pd(II)-catalyzed enantioselective Câ€"H arylation of free carboxylic acids | 20180419 |
US-2015191439-A1 | Inhibitors targeting drug-resistant influenza a | 20111206 |
Complexity: | 126 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 251.91058 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 251.91058 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 45.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.3 |
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