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

CAS: 1826-13-7 Cat. No.: P630805 Formule: C₉H₇NS Poids moléculaire: 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

Synonymes

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

Spécifications et pureté

≥97%

Conditions de stockage de stockage

Store at 2-8°C

Expédié en

Wet ice

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Pureté

≥97%

Noms et identifiants

Sourires canoniques

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

Isomères SMILES

C1=CC=C(C=C1)C2=CN=CS2

CAS alternatif

1826-13-7

PubChem CID

595209

Poids moléculaire

161.22

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: 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

Mécanismes d'action

Propriétés chimiques et physiques

• Poids moléculaire: 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

Foire aux questions

What is the purity of this product?

This product is supplied at ≥97% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at 2–8 °C. Refrigerated storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships chilled on wet ice. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 1826-13-7, the molecular formula is C9H7NS, and the molecular weight is 161.22 g/mol. InChIKey ZLLOWHFKKIOINR-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.