2-tert-Butylthiophene - CAS 1689-78-7
Catalog: |
BB012509 |
Product Name: |
2-tert-Butylthiophene |
CAS: |
1689-78-7 |
Synonyms: |
2-tert-butylthiophene; 2-tert-butylthiophene |
IUPAC Name: | 2-tert-butylthiophene |
Description: | 2-tert-Butylthiophene (CAS# 1689-78-7) is a useful research chemical. |
Molecular Weight: | 140.25 |
Molecular Formula: | C8H12S |
Canonical SMILES: | CC(C)(C)C1=CC=CS1 |
InChI: | InChI=1S/C8H12S/c1-8(2,3)7-5-4-6-9-7/h4-6H,1-3H3 |
InChI Key: | SWCDOJGIOCVXFM-UHFFFAOYSA-N |
Boiling Point: | 169.8 °C at 760 mmHg |
Density: | 0.963 g/cm3 |
LogP: | 3.04560 |
Publication Number | Title | Priority Date |
US-2021292320-A1 | Functionalized heterocyclic compounds as antiviral agents | 20200316 |
US-2021188890-A1 | Selective valorization of biomass sugars | 20191219 |
WO-2021127642-A1 | Selective valorization of biomass sugars | 20191219 |
US-2021147402-A1 | Compounds and methods of preparing compounds s1p1 modulators | 20191119 |
US-2021104690-A1 | Organic electroluminescent materials and devices | 20191008 |
Complexity: | 91.2 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 140.06597156 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 140.06597156 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 28.2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.3 |
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