4-(2-Chlorophenyl)-2-methylthiazole - ≥98% , CAS No.777853-12-0

CAS: 777853-12-0 Cat. No.: C186589 Formule: C₁₀H₈ClNS Poids moléculaire: 209.7

GRADE & PURITY ≥98%

Synonyms

Thiazole, 4-(2-chlorophenyl)-2-methyl- | SCHEMBL4437476 | AKOS003104146 | N12215 | 4-(2-chlorophenyl)-2-methyl-1,3-thiazole | 4-(2-Chlorophenyl)-2-methylthiazole | CGB85312 | Maybridge3_001313 | BS-25953 | DTXSID70384521 | MFCD08832472 | IDI1_012700 | AM8

Storage

Room temperature

Shipped In

Normal

Specifications

Synonymes

Thiazole, 4-(2-chlorophenyl)-2-methyl- | SCHEMBL4437476 | AKOS003104146 | N12215 | 4-(2-chlorophenyl)-2-methyl-1,3-thiazole | 4-(2-Chlorophenyl)-2-methylthiazole | CGB85312 | Maybridge3_001313 | BS-25953 | DTXSID70384521 | MFCD08832472 | IDI1_012700 | AM8

Spécifications et pureté

≥98%

Conditions de stockage de stockage

Room temperature

Expédié en

Normal

Pureté

≥98%

Noms et identifiants

Sourires canoniques

CC1=NC(=CS1)C2=CC=CC=C2Cl

IUPAC Name

4-(2-chlorophenyl)-2-methyl-1,3-thiazole

InChIKey

ATVDZANKURJFKL-UHFFFAOYSA-N

INCHI

1S/C10H8ClNS/c1-7-12-10(6-13-7)8-4-2-3-5-9(8)11/h2-6H,1H3

Isomères SMILES

CC1=NC(=CS1)C2=CC=CC=C2Cl

Poids moléculaire

209.7

Reaxy-Rn

20162578

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=20162578&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Azoles
      • Subclass Thiazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Azoles
• Subclass: Thiazoles
• Intermediate Tree Nodes: Not available
• Direct Parent: 2,4-disubstituted thiazoles
• Alternative Parents: Chlorobenzenes Aryl chlorides Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 2,4-disubstituted 1,3-thiazole - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Azacycle - Organohalogen compound - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organopnictogen compound - Organochloride - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as 2,4-disubstituted thiazoles. These are compounds containing a thiazole ring substituted at the positions 2 and 3.
• 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

Propriétés chimiques et physiques

• Poids moléculaire: 209.700 g/mol
• XLogP3: 3.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 209.007 Da
• Monoisotopic Mass: 209.007 Da
• Topological Polar Surface Area: 41.100 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 176.000
• 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 ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

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

The CAS Number is 777853-12-0, the molecular formula is C10H8ClNS, and the molecular weight is 209.7 g/mol. InChIKey ATVDZANKURJFKL-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.