4-Bromo-6-(trifluoromethyl)benzimidazole-2-thiol

• CAS: 175135-17-8
• Catalog Number: ACM175135178
• Category: Bromine Series
• Molecular Weight: 297.09
• Molecular Formula: C₈H₄BrF₃N₂S
• Synonyms: 4-BROMO-6-(TRIFLUOROMETHYL)BENZIMIDAZOLE-2-THIOL;4-Bromo-2-mercapto-6-(trifluoromethyl)benzimidazole;4-Bromo-6-(trifluoromethyl)benzimidazole-2-thiol 97%;4-Bromo-6-(trifluoromethyl)benzimidazole-2-thiol97%;4-bromo-6-(trifluoromethyl)-1H-benzo[d]imidazole
• IUPAC Name: 4-bromo-6-(trifluoromethyl)-1,3-dihydrobenzimidazole-2-thione
• Canonical SMILES: C1=C(C=C(C2=C1NC(=S)N2)Br)C(F)(F)F
• InChI Key: XUDUCQCVVBSDGY-UHFFFAOYSA-N
• Boiling Point: >300
• Melting Point: >300ºC
• Flash Point: 172.6ºC
• Density: 1.432g/cm³
• Exact Mass: 295.92300
• Hazard Statements: Xi
• H-Bond Acceptor: 4
• H-Bond Donor: 2
• Safety Description: 26-36/37/39

Custom Q&A

What is the molecular formula of 4-Bromo-6-(trifluoromethyl)benzimidazole-2-thiol?

The molecular formula is C8H4BrF3N2S.

When was PubChem CID 2736428 created and last modified?

It was created on 2005-07-19 and last modified on 2023-12-02.

What is the IUPAC name of 4-Bromo-6-(trifluoromethyl)benzimidazole-2-thiol?

The IUPAC name is 4-bromo-6-(trifluoromethyl)-1,3-dihydrobenzimidazole-2-thione.

What is the InChIKey of 4-Bromo-6-(trifluoromethyl)benzimidazole-2-thiol?

The InChIKey is XUDUCQCVVBSDGY-UHFFFAOYSA-N.

What is the Canonical SMILES of 4-Bromo-6-(trifluoromethyl)benzimidazole-2-thiol?

The Canonical SMILES is C1=C(C=C(C2=C1NC(=S)N2)Br)C(F)(F)F.

How many hydrogen bond donor counts does 4-Bromo-6-(trifluoromethyl)benzimidazole-2-thiol have?

It has 2 hydrogen bond donor counts.

What is the topological polar surface area of 4-Bromo-6-(trifluoromethyl)benzimidazole-2-thiol?

The topological polar surface area is 56.2 Ų.

How many defined bond stereocenter counts does 4-Bromo-6-(trifluoromethyl)benzimidazole-2-thiol have?

It has 0 defined bond stereocenter counts.

What is the complexity of 4-Bromo-6-(trifluoromethyl)benzimidazole-2-thiol?

The complexity is 284.

Is the compound canonicalized in PubChem CID 2736428?

Yes, the compound is canonicalized.