4-Bromothiazole - ≥97% , CAS No.34259-99-9

CAS: 34259-99-9 Cat. No.: B122730 Molecular Weight: 164.02 EC Number: 627-626-2

GRADE & PURITY ≥97%

Synonyms

DTXSID60376819 | VDTIGYKLTROQAH-UHFFFAOYSA-N | BBL101068 | EN300-68540 | 4-bromothiazol | FT-0602276 | PS-6077 | SCHEMBL9290 | BCP27325 | 4-bromo-1,3-thiazole | B4594 | STL554862 | Thiazole, 4-bromo- | 4-Bromothiazole | 4-Bromo-thiazole | AM20090525 | AC-

Storage

Protected from light,Argon charged,Room temperature

Shipped In

Normal

Specifications

Synonyms

DTXSID60376819 | VDTIGYKLTROQAH-UHFFFAOYSA-N | BBL101068 | EN300-68540 | 4-bromothiazol | FT-0602276 | PS-6077 | SCHEMBL9290 | BCP27325 | 4-bromo-1, 3-thiazole | B4594 | STL554862 | Thiazole, 4-bromo- | 4-Bromothiazole | 4-Bromo-thiazole | AM20090525 | AC-

Specifications & Purity

≥97%

Storage

Protected from light, Argon charged, Room temperature

Shipped In

Normal

Purity

≥97%

Names and Identifiers

• Pubchem Sid: 504761730
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504761730
• Canonical Smiles: C1=C(N=CS1)Br
• IUPAC Name: 4-bromo-1,3-thiazole
• InChIKey: VDTIGYKLTROQAH-UHFFFAOYSA-N
• INCHI: 1S/C3H2BrNS/c4-3-1-6-2-5-3/h1-2H
• Isomeric SMILES: C1=C(N=CS1)Br
• WGK Germany: 3
• Molecular Weight: 164.02
• Reaxy-Rn: 506871
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=506871&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organohalogen compounds
    • Class Aryl halides
      • Subclass Aryl bromides

• Kingdom: Organic compounds
• Superclass: Organohalogen compounds
• Class: Aryl halides
• Subclass: Aryl bromides
• Intermediate Tree Nodes: Not available
• Direct Parent: Aryl bromides
• Alternative Parents: Thiazoles Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organobromides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Aryl bromide - Heteroaromatic compound - Thiazole - Azole - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Organobromide - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as aryl bromides. These are organic compounds containing the acyl bromide functional group.
• 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

Associated Targets(non-human)

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

Mechanisms of Action

Chemical and Physical Properties

• Sensitivity: Light Sensitive,Air Sensitive
• Refractive Index: 1.602
• Flash Point(°F): 213.8 °F
• Flash Point(°C): 101 °C
• Boil Point(°C): 190 °C
• Molecular Weight: 164.030 g/mol
• XLogP3: 2.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 162.909 Da
• Monoisotopic Mass: 162.909 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