5-phenylthiazole - ≥97% , CAS No.1826-13-7

CAS: 1826-13-7 Cat. No.: P630805 Molecular Weight: 161.22 PubChem CID: 595209

GRADE & PURITY ≥97%

Synonyms

FT-0653717 | 5-Phenyl-1,3-thiazole # | 5-phenyl-1,3-thiazole, 34 | DS-17853 | DTXSID30344227 | Thiazole, 5-phenyl- | SCHEMBL48894 | InChI=1/C9H7NS/c1-2-4-8(5-3-1)9-6-10-7-11-9/h1-7 | BDBM24682 | 5-phenylthiazole | O11489 | MFCD12911591 | A812711 | AKOS015

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Synonyms

FT-0653717 | 5-Phenyl-1, 3-thiazole # | 5-phenyl-1, 3-thiazole, 34 | DS-17853 | DTXSID30344227 | Thiazole, 5-phenyl- | SCHEMBL48894 | InChI=1/C9H7NS/c1-2-4-8(5-3-1)9-6-10-7-11-9/h1-7 | BDBM24682 | 5-phenylthiazole | O11489 | MFCD12911591 | A812711 | AKOS015

Specifications & Purity

≥97%

Storage

Store at 2-8°C

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=CC=C(C=C1)C2=CN=CS2
• IUPAC Name: 5-phenyl-1,3-thiazole
• InChIKey: ZLLOWHFKKIOINR-UHFFFAOYSA-N
• INCHI: 1S/C9H7NS/c1-2-4-8(5-3-1)9-6-10-7-11-9/h1-7H
• Isomeric SMILES: C1=CC=C(C=C1)C2=CN=CS2
• Alternate CAS: 1826-13-7
• PubChem CID: 595209
• Molecular Weight: 161.22

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzene and substituted derivatives
• Alternative Parents: Thiazoles Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Monocyclic benzene moiety - Heteroaromatic compound - Thiazole - Azole - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as benzene and substituted derivatives. These are aromatic compounds containing one monocyclic ring system consisting of benzene.
• 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

Mechanisms of Action

Chemical and Physical Properties

• Molecular Weight: 161.230 g/mol
• XLogP3: 2.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 161.03 Da
• Monoisotopic Mass: 161.03 Da
• Topological Polar Surface Area: 41.100 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 121.000
• 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