2-(1-benzothiophen-5-yl)ethan-1-ol - CAS 96803-30-4
Catalog: |
BB042009 |
Product Name: |
2-(1-benzothiophen-5-yl)ethan-1-ol |
CAS: |
96803-30-4 |
Synonyms: |
2-(1-benzothiophen-5-yl)ethanol; 2-(1-benzothiophen-5-yl)ethanol |
IUPAC Name: | 2-(1-benzothiophen-5-yl)ethanol |
Description: | 2-(1-benzothiophen-5-yl)ethan-1-ol (CAS# 96803-30-4) is derived from 5-Bromobenzo[b]thiophene (B680425), which is used as a reactant in the preparation of 4-aminoquinolines and tetraoxanes displaying antimalarial activity. |
Molecular Weight: | 178.249 |
Molecular Formula: | C10H10OS |
Canonical SMILES: | C1=CC2=C(C=CS2)C=C1CCO |
InChI: | InChI=1S/C10H10OS/c11-5-3-8-1-2-10-9(7-8)4-6-12-10/h1-2,4,6-7,11H,3,5H2 |
InChI Key: | DSZAQLDIEKUEMB-UHFFFAOYSA-N |
Boiling Point: | 327.322 °C at 760 mmHg |
Density: | 1.243 g/cm3 |
LogP: | 2.43610 |
Publication Number | Title | Priority Date |
JP-2012046499-A | 3- (2- (1-Benzothiophen-5-yl) ethoxy) propionic acid salt or hydrate thereof and process for producing the same | 20100726 |
JP-6004307-B2 | 3- (2- (1-Benzothiophen-5-yl) ethoxy) propionic acid salt or hydrate thereof and process for producing the same | 20100726 |
JP-2011074073-A | Process for producing 2- (1-benzothiophen-5-yl) ethanol | 20090903 |
JP-5763313-B2 | Process for producing 2- (1-benzothiophen-5-yl) ethanol | 20090903 |
JP-2008110969-A | Novel production method of aromatic thiol derivatives having substituents or intermediates thereof | 20061004 |
Complexity: | 149 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 178.04523611 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 178.04523611 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 48.5 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.5 |
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