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

Technical Data

Patents

Computed Properties

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

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Related Functional Groups

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[4780-79-4]
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[1299597-30-0]
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Benzofuran/Benzothiophene

[76981-71-0]
Ethyl 2-amino-6-methyl-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate
[34761-09-6]
Ethyl 3-aminobenzo[b]thiophene-2-carboxylate
[33118-85-3]
5-Bromo-3-methylbenzofuran
[174186-43-7]
6,7,8,9-Tetrahydrodibenzo[b,d]furan-4-carboxylic acid
[2649788-75-8]
tert-butyl N-(4-bromo-3-cyano-benzothiophen-2-yl)carbamate
[16587-47-6]
6-Methylbenzo[b]thiophene

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