The store will not work correctly when cookies are disabled.
JavaScript seems to be disabled in your browser.
For the best experience on our site, be sure to turn on Javascript in your browser.
This is a demo store. No orders will be fulfilled.
We use cookies to keep things working smoothly and to improve your experience.
Choose what’s okay for you below. See our Cookie Policy .
Accept Cookies
2-[Benzo(b)thiophen-2-yl]-5-hydroxypyridine - 95%, high purity , CAS No.1261998-84-8
Basic Description
Synonyms
1261998-84-8 | 6-(Benzo[b]thiophen-2-yl)pyridin-3-ol | 2-[Benzo(b)thiophen-2-yl]-5-hydroxypyridine | 6-(1-benzothiophen-2-yl)pyridin-3-ol | 3-Pyridinol, 6-benzo[b]thien-2-yl- | DTXSID30692614 | MFCD18323585 | AKOS015892189 | BS-20373 | CS-0209717
Specifications & Purity
≥95%
Storage Temp
Room temperature
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Benzothiophenes
Subclass
1-benzothiophenes
Intermediate Tree Nodes
Not available
Direct Parent
1-benzothiophenes
Alternative Parents
2,3,5-trisubstituted thiophenes Hydroxypyridines Benzenoids Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
1-benzothiophene - 2,3,5-trisubstituted thiophene - Hydroxypyridine - Benzenoid - Pyridine - Heteroaromatic compound - Thiophene - Azacycle - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as 1-benzothiophenes. These are aromatic heterocyclic compound containing the Benzo[b]thiophene ring system.
External Descriptors
Not available
Data sources
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
Names and Identifiers
IUPAC Name
6-(1-benzothiophen-2-yl)pyridin-3-ol
INCHI
InChI=1S/C13H9NOS/c15-10-5-6-11(14-8-10)13-7-9-3-1-2-4-12(9)16-13/h1-8,15H
InChIKey
RTRDZUIOYHWHQF-UHFFFAOYSA-N
Smiles
C1=CC=C2C(=C1)C=C(S2)C3=NC=C(C=C3)O
Isomeric SMILES
C1=CC=C2C(=C1)C=C(S2)C3=NC=C(C=C3)O
Molecular Weight
227.3
Reaxy-Rn
29629045
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=29629045&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
227.280 g/mol
XLogP3
3.200
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
1
Exact Mass
227.04 Da
Monoisotopic Mass
227.04 Da
Topological Polar Surface Area
61.400 Ų
Heavy Atom Count
16
Formal Charge
0
Complexity
248.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
The total count of all stereochemical bonds
0
Covalently-Bonded Unit Count
1
Solution Calculators
Molarity Calculator
Determine the necessary mass, volume, or concentration for preparing a solution.
Dilution Calculator
Determine the dilution needed to prepare a stock solution.
Reconstitution Calculator
Shall we send you a message when we have discounts available?
Remind me later
Allow
Thank you! Please check your email inbox to confirm.
Oops! Notifications are disabled.
