3-Hydroxy-2-(2-thienylmethyl)propanenitrile - CAS 906075-48-7
Catalog: |
BB039904 |
Product Name: |
3-Hydroxy-2-(2-thienylmethyl)propanenitrile |
CAS: |
906075-48-7 |
Synonyms: |
2-(hydroxymethyl)-3-thiophen-2-ylpropanenitrile; 2-(hydroxymethyl)-3-thiophen-2-ylpropanenitrile |
IUPAC Name: | 2-(hydroxymethyl)-3-thiophen-2-ylpropanenitrile |
Description: | 3-Hydroxy-2-(2-thienylmethyl)propanenitrile (CAS# 906075-48-7) is a useful research chemical. |
Molecular Weight: | 167.23 |
Molecular Formula: | C8H9NOS |
Canonical SMILES: | C1=CSC(=C1)CC(CO)C#N |
InChI: | InChI=1S/C8H9NOS/c9-5-7(6-10)4-8-2-1-3-11-8/h1-3,7,10H,4,6H2 |
InChI Key: | VLGGRPUWGPUWSJ-UHFFFAOYSA-N |
Publication Number | Title | Priority Date |
EP-1836161-A2 | Methods and compositions for treating amyloid-related diseases | 20041222 |
US-2006223855-A1 | Methods and compositions for treating amyloid-related diseases | 20041222 |
US-2012015911-A1 | Method and compositions for treating amyloid-related diseases | 20041222 |
US-2014329746-A1 | Methods and compositions for treating amyloid-related diseases | 20041222 |
US-8044100-B2 | Methods and compositions for treating amyloid-related diseases | 20041222 |
Complexity: | 163 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 167.04048508 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 167.04048508 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 72.3 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.9 |
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