2-Chlorothiazole - ≥98% , CAS No.3034-52-4

CAS: 3034-52-4 Cat. No.: C121869 Formule: C₃H₂ClNS Poids moléculaire: 119.57 Beilstein Registry Number: 27(4)962 Numéro CE: 221-228-9

GRADE & PURITY ≥98%

Synonyms

2-chloranyl-1,3-thiazole | KLEYVGWAORGTIT-UHFFFAOYSA-N | 2-Chlothiozole | Bema granisetron | STL558527 | Thiazole, 2-chloro- | 1,2,3,4,6-Pgg | UNII-TA2DNZ4W48 | O-(6)-Methylguanine | PS-6193 | EN300-42136 | AKOS002657859 | EINECS 221-228-9 | Q27119768 | 2

Storage

Room temperature

Shipped In

Normal

Specifications

Synonymes

2-chloranyl-1,3-thiazole | KLEYVGWAORGTIT-UHFFFAOYSA-N | 2-Chlothiozole | Bema granisetron | STL558527 | Thiazole, 2-chloro- | 1,2,3,4,6-Pgg | UNII-TA2DNZ4W48 | O-(6)-Methylguanine | PS-6193 | EN300-42136 | AKOS002657859 | EINECS 221-228-9 | Q27119768 | 2

Spécifications et pureté

≥98%

Conditions de stockage de stockage

Room temperature

Expédié en

Normal

Pureté

≥98%

Noms et identifiants

Pubchem Sid

504755061

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504755061

Sourires canoniques

C1=CSC(=N1)Cl

IUPAC Name

2-chloro-1,3-thiazole

InChIKey

KLEYVGWAORGTIT-UHFFFAOYSA-N

INCHI

1S/C3H2ClNS/c4-3-5-1-2-6-3/h1-2H

Isomères SMILES

C1=CSC(=N1)Cl

WGK Allemagne

1

Poids moléculaire

119.57

Beilstein

27(4)962

Reaxy-Rn

105723

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=105723&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organohalogen compounds
    • Classe Aryl halides
      • Subclass Aryl chlorides

• Kingdom: Organic compounds
• Superclass: Organohalogen compounds
• Classe: Aryl halides
• Subclass: Aryl chlorides
• Intermediate Tree Nodes: Not available
• Direct Parent: Aryl chlorides
• Alternative Parents: Thiazoles Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Aryl chloride - Heteroaromatic compound - Thiazole - Azole - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Organochloride - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as aryl chlorides. These are organic compounds containing the acyl chloride functional group.
• External Descriptors: organochlorine compound - 1,3-thiazole

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

Cibles associées (non humaines)

ddlB D-alanylalanine synthetase (66 Activities)

Discover Target: ddlB

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

murA UDP-N-acetylglucosamine 1-carboxyvinyltransferase (389 Activities)

Discover Target: murA

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mécanismes d'action

Propriétés chimiques et physiques

• Solubilité: Soluble in Ether
• Sensibilité: Air Sensitive,Heat Sensitive
• Indice de réfraction: 1.551
• Point d'éclair (°F): 129.2 °F
• Point d'éclair (°C): 54°C(Lit.)
• Point d'ébullition (°C): 145°C
• Poids moléculaire: 119.570 g/mol
• XLogP3: 1.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 118.96 Da
• Monoisotopic Mass: 118.96 Da
• Topological Polar Surface Area: 41.100 Ų
• Heavy Atom Count: 6
• Formal Charge: 0
• Complexity: 50.100
• 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