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

CAS: 3034-52-4 Cat. No.: C121869 分子式: C₃H₂ClNS 分子量: 119.57 Beilstein Registry Number: 27(4)962 EC番号: 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

同義語

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

仕様と純度

≥98%

保管条件

Room temperature

入荷

Normal

純度

≥98%

名前と識別子

パブケム・シド

504755061

パブケム・シド・ウル

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

カノニカル・スマイル

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

異性体SMILES

C1=CSC(=N1)Cl

WGKドイツ

1

分子量

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
    • 分類 Aryl halides
      • Subclass Aryl chlorides

• Kingdom: Organic compounds
• Superclass: Organohalogen compounds
• 分類: 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
• 説明: 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

関連ターゲット（非人間）

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

作用メカニズム

化学的性質と物理的性質

• 溶解度: Soluble in Ether
• 感度: Air Sensitive,Heat Sensitive
• 屈折率: 1.551
• 引火点（°F）: 129.2 °F
• 引火点（°C）: 54°C(Lit.)
• 沸点（°C）: 145°C
• 分子量: 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