Thiazolo[4,5-b]pyridine-2-thiol - ≥97% , CAS No.99158-61-9

CAS: 99158-61-9 Cat. No.: T348061 Molecular Weight: 168.24 EC Number: 882-045-3 PubChem CID: 21202625

GRADE & PURITY ≥97%

Synonyms

DTXSID50611367 | SCHEMBL1761836 | thiazolo [4,5-b]pyridine-2-thiol | ZDA15861 | EN300-115536 | SY147419 | thiazolo[4,5-b]pyridine-2(3H)-thione | AB04817 | AKOS015856629 | FT-0682559 | 3H-Thiazolo[4,5-b]pyridine-2-thione | Z1201619791 | RQVPXSDOJUXHLF-UHFF

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Synonyms

DTXSID50611367 | SCHEMBL1761836 | thiazolo [4, 5-b]pyridine-2-thiol | ZDA15861 | EN300-115536 | SY147419 | thiazolo[4, 5-b]pyridine-2(3H)-thione | AB04817 | AKOS015856629 | FT-0682559 | 3H-Thiazolo[4, 5-b]pyridine-2-thione | Z1201619791 | RQVPXSDOJUXHLF-UHFF

Specifications & Purity

≥97%

Storage

Store at 2-8°C, Argon charged

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥97%

Names and Identifiers

• Canonical Smiles: C1=CC2=C(NC(=S)S2)N=C1
• IUPAC Name: 3H-[1,3]thiazolo[4,5-b]pyridine-2-thione
• InChIKey: RQVPXSDOJUXHLF-UHFFFAOYSA-N
• INCHI: 1S/C6H4N2S2/c9-6-8-5-4(10-6)2-1-3-7-5/h1-3H,(H,7,8,9)
• Isomeric SMILES: C1=CC2=C(NC(=S)S2)N=C1
• PubChem CID: 21202625
• Molecular Weight: 168.24

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Pyridines and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Pyridines and derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyridines and derivatives
• Alternative Parents: Thiazoles Heteroaromatic compounds Azacyclic compounds Organosulfur compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Pyridine - Heteroaromatic compound - Thiazole - Azole - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organosulfur compound - Organonitrogen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as pyridines and derivatives. These are compounds containing a pyridine ring, which is a six-member aromatic heterocycle which consists of one nitrogen atom and five carbon atoms.
• 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.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Molecular Weight: 168.200 g/mol
• XLogP3: 1.500
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 167.982 Da
• Monoisotopic Mass: 167.982 Da
• Topological Polar Surface Area: 82.300 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 160.000
• 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