5-Bromo-3-methylisothiazole

• CAS: 20493-60-1
• Catalog Number: ACM20493601
• Category: Bromine Series
• Molecular Weight: 178.05
• Molecular Formula: C₄H₄BrNS
• Synonyms: 5-BROMO-3-METHYL-ISOTHIAZOLE;5-broMo-3-Methyl-1,2-thiazole
• IUPAC Name: 5-bromo-3-methyl-1,2-thiazole
• InChI Key: XSVSPKKXQGNHMD-UHFFFAOYSA-N
• Boiling Point: 72°C (13 Torr)
• Flash Point: 20.1ºC
• Density: 1.702g/cm³
• Exact Mass: 176.92500
• Hazard Statements: Xn
• H-Bond Acceptor: 1
• H-Bond Donor: 0

Custom Q&A

What is the molecular formula of 5-Bromo-3-methylisothiazole?

The molecular formula is C4H4BrNS.

What is the molecular weight of 5-Bromo-3-methylisothiazole?

The molecular weight is 178.05 g/mol.

What is the IUPAC name of 5-Bromo-3-methylisothiazole?

The IUPAC name is 5-bromo-3-methyl-1,2-thiazole.

What is the InChI of 5-Bromo-3-methylisothiazole?

The InChI is InChI=1S/C4H4BrNS/c1-3-2-4(5)7-6-3/h2H,1H3.

What is the InChIKey of 5-Bromo-3-methylisothiazole?

The InChIKey is XSVSPKKXQGNHMD-UHFFFAOYSA-N.

What is the canonical SMILES of 5-Bromo-3-methylisothiazole?

The canonical SMILES is CC1=NSC(=C1)Br.

What is the CAS number of 5-Bromo-3-methylisothiazole?

The CAS number is 20493-60-1.

What is the European Community (EC) number of 5-Bromo-3-methylisothiazole?

The European Community (EC) number is 692-213-6.

What is the DSSTox Substance ID of 5-Bromo-3-methylisothiazole?

The DSSTox Substance ID is DTXSID70344988.

Is 5-Bromo-3-methylisothiazole a canonicalized compound in PubChem?

Yes, 5-Bromo-3-methylisothiazole is a canonicalized compound in PubChem.

Synthetic Use

Upstream Synthesis Route 1

• 71134-43-5

• 20493-60-1

Reference: [1]Patent: WO2009/55437,2009,A2 .Location in patent: Page/Page column 66

Upstream Synthesis Route 2

• 71134-43-5
• 7758-99-8

• 20493-60-1

Reference: [1]Patent: US2004/2545,2004,A1

Downstream Synthesis Route 1

• 20493-60-1
• 50-00-0

• 88511-32-4

Reference: [1] Journal of the Chemical Society, 1963, p. 2032 - 2039

* For details of the synthesis route, please refer to the original source to ensure accuracy.