2-Thienylcarbamic Acid Ethyl Ester - CAS 105995-16-2
Catalog: |
BB001751 |
Product Name: |
2-Thienylcarbamic Acid Ethyl Ester |
CAS: |
105995-16-2 |
Synonyms: |
N-thiophen-2-ylcarbamic acid ethyl ester; ethyl N-thiophen-2-ylcarbamate |
IUPAC Name: | ethyl N-thiophen-2-ylcarbamate |
Description: | 2-Thienylcarbamic Acid Ethyl Ester (CAS# 105995-16-2 ) is a useful research chemical. |
Molecular Weight: | 171.22 |
Molecular Formula: | C7H9NO2S |
Canonical SMILES: | CCOC(=O)NC1=CC=CS1 |
InChI: | InChI=1S/C7H9NO2S/c1-2-10-7(9)8-6-4-3-5-11-6/h3-5H,2H2,1H3,(H,8,9) |
InChI Key: | RRMXNBZSHDZAJJ-UHFFFAOYSA-N |
Boiling Point: | 212 °C at 760 mmHg |
Density: | 1.269 g/cm3 |
LogP: | 2.38950 |
Publication Number | Title | Priority Date |
EP-3426654-A1 | Direct palladium-catalyzed aromatic fluorination | 20160309 |
WO-2017156265-A1 | Direct palladium-catalyzed aromatic fluorination | 20160309 |
EP-3356437-A1 | Soft isocyanate-crosslinked polymer substance and associated products | 20151001 |
WO-2017054797-A1 | Soft isocyanate-crosslinked polymer substance and associated products | 20151001 |
EP-2831056-A1 | New anti-mycobacterial drugs against tuberculosis | 20120331 |
Complexity: | 140 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 171.0353997 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 171.0353997 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 66.6 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.9 |
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