4-Bromo-2-methoxythiazole - ≥95% , CAS No.240816-35-7

CAS: 240816-35-7 Cat. No.: B168930 Formula: C₄H₄BrNOS Molecular Weight: 194.05 EC Number: 672-935-8

GRADE & PURITY ≥95%

Synonyms

EN300-202283 | SCHEMBL959293 | AC-25739 | W-206872 | PS-3837 | OZROWEIIPIELCJ-UHFFFAOYSA-N | AKOS005255991 | MFCD07787374 | 4-bromo-2-methoxy-1,3-thiazole | FT-0685307 | DTXSID20376855 | SY101314 | S12156 | AB42965 | A817080 | 4-Bromo-2-methoxythiazole |

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

EN300-202283 | SCHEMBL959293 | AC-25739 | W-206872 | PS-3837 | OZROWEIIPIELCJ-UHFFFAOYSA-N | AKOS005255991 | MFCD07787374 | 4-bromo-2-methoxy-1,3-thiazole | FT-0685307 | DTXSID20376855 | SY101314 | S12156 | AB42965 | A817080 | 4-Bromo-2-methoxythiazole |

Specifications & Purity

≥95%

Storage

Room temperature

Shipped In

Normal

Purity

≥95%

Names and Identifiers

• Pubchem Sid: 488193353
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488193353
• Canonical Smiles: COC1=NC(=CS1)Br
• IUPAC Name: 4-bromo-2-methoxy-1,3-thiazole
• InChIKey: OZROWEIIPIELCJ-UHFFFAOYSA-N
• INCHI: 1S/C4H4BrNOS/c1-7-4-6-3(5)2-8-4/h2H,1H3
• Isomeric SMILES: COC1=NC(=CS1)Br
• Molecular Weight: 194.05
• Reaxy-Rn: 8253391
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=8253391&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Azoles
• Subclass: Thiazoles
• Intermediate Tree Nodes: Not available
• Direct Parent: 2,4-disubstituted thiazoles
• Alternative Parents: Alkyl aryl ethers Aryl bromides Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organobromides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 2,4-disubstituted 1,3-thiazole - Alkyl aryl ether - Aryl bromide - Aryl halide - Heteroaromatic compound - Azacycle - Ether - Organic nitrogen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Organooxygen compound - Hydrocarbon derivative - Organopnictogen compound - Organic oxygen compound - 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

Chemical and Physical Properties

• Molecular Weight: 194.050 g/mol
• XLogP3: 2.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 192.92 Da
• Monoisotopic Mass: 192.92 Da
• Topological Polar Surface Area: 50.400 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 82.400
• 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

Frequently Asked Questions

What is the purity of this product?

This product is supplied at ≥95% 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 240816-35-7, the molecular formula is C4H4BrNOS, and the molecular weight is 194.05 g/mol. InChIKey OZROWEIIPIELCJ-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.