5-Bromo-3-methylthiophene-2-carbonitrile

• CAS: 38239-48-4
• Catalog Number: ACM38239484
• Category: Bromine Series
• Molecular Weight: 202.071660 [g/mol]
• Molecular Formula: C₆H₄NBrS
• Synonyms: 5-BROMO-3-METHYLTHIOPHENE-2-CARBONITRILE, 38239-48-4, AKOS016014241, QC-5987, RL03463, AK129585, KB-42276
• IUPAC Name: 5-bromo-3-methylthiophene-2-carbonitrile
• Canonical SMILES: CC1=C(SC(=C1)Br)C#N
• InChI Key: YRHGVLYIFCHFJY-UHFFFAOYSA-N
• Exact Mass: 200.92500
• H-Bond Acceptor: 2
• H-Bond Donor: 0

Custom Q&A

What is the molecular formula of 5-Bromo-3-methylthiophene-2-carbonitrile?

The molecular formula is C6H4BrNS.

What is the molecular weight of 5-Bromo-3-methylthiophene-2-carbonitrile?

The molecular weight is 202.07 g/mol.

What is the IUPAC name of 5-Bromo-3-methylthiophene-2-carbonitrile?

The IUPAC name is 5-bromo-3-methylthiophene-2-carbonitrile.

What is the InChI of 5-Bromo-3-methylthiophene-2-carbonitrile?

The InChI is InChI=1S/C6H4BrNS/c1-4-2-6(7)9-5(4)3-8/h2H,1H3.

What is the InChIKey of 5-Bromo-3-methylthiophene-2-carbonitrile?

The InChIKey is YRHGVLYIFCHFJY-UHFFFAOYSA-N.

What is the canonical SMILES of 5-Bromo-3-methylthiophene-2-carbonitrile?

The canonical SMILES is CC1=C(SC(=C1)Br)C#N.

What is the CAS number of 5-Bromo-3-methylthiophene-2-carbonitrile?

The CAS number is 38239-48-4.

What is the XLogP3-AA value of 5-Bromo-3-methylthiophene-2-carbonitrile?

The XLogP3-AA value is 3.

How many hydrogen bond donor counts does 5-Bromo-3-methylthiophene-2-carbonitrile have?

It has 0 hydrogen bond donor counts.

How many hydrogen bond acceptor counts does 5-Bromo-3-methylthiophene-2-carbonitrile have?

It has 2 hydrogen bond acceptor counts.