5-Bromothiophene-2-carbonitrile

• CAS: 2160-62-5
• Catalog Number: ACM2160625
• Category: Bromine Series
• Molecular Weight: 188.05
• Molecular Formula: C₅H₂BrNS
• Synonyms: 5-Bromothiophene-2-carbonitrile, 2160-62-5, 2-Cyano-5-bromothiophene, PubChem13799, ACMC-1CDM3, SureCN867171, AC1MT53W, 574430_ALDRICH, AC1Q250V, 5-bromo-2-thiophenecarbonitrile, CTK4E7284, 2-Thiophenecarbonitrile,5-bromo-, MolPort-003-937-163, 5-bromanylthiophene-2-carbonitrile, ACT08240, ANW-52492, RW2803, STL214395, WTI-10341, ZINC02541509
• IUPAC Name: 5-bromothiophene-2-carbonitrile
• Canonical SMILES: C1=C(SC(=C1)Br)C#N
• InChI Key: YVVHCBNJWHPMCQ-UHFFFAOYSA-N
• Boiling Point: 226.2ºC at 760 mmHg
• Flash Point: 214 °F
• Density: 1.694 g/mL at 25ºC(lit.)
• Exact Mass: 186.90900
• Hazard Statements: Xn: Harmful
• H-Bond Acceptor: 2
• H-Bond Donor: 0
• Safety Description: 26-36/37

Custom Q&A

What is the molecular formula of 5-Bromothiophene-2-carbonitrile?

The molecular formula is C5H2BrNS.

What is the molecular weight of 5-Bromothiophene-2-carbonitrile?

The molecular weight is 188.05 g/mol.

What is the IUPAC name of 5-Bromothiophene-2-carbonitrile?

The IUPAC name is 5-bromothiophene-2-carbonitrile.

What is the InChI of 5-Bromothiophene-2-carbonitrile?

The InChI is InChI=1S/C5H2BrNS/c6-5-2-1-4(3-7)8-5/h1-2H.

What is the InChIKey of 5-Bromothiophene-2-carbonitrile?

The InChIKey is YVVHCBNJWHPMCQ-UHFFFAOYSA-N.

What is the canonical SMILES of 5-Bromothiophene-2-carbonitrile?

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

What is the CAS number of 5-Bromothiophene-2-carbonitrile?

The CAS number is 2160-62-5.

What is the European Community (EC) number of 5-Bromothiophene-2-carbonitrile?

The European Community (EC) number is 628-746-8.

What is the DSSTox Substance ID of 5-Bromothiophene-2-carbonitrile?

The DSSTox Substance ID is DTXSID80393982.

Is 5-Bromothiophene-2-carbonitrile a canonicalized compound?

Yes, it is canonicalized according to PubChem.