3-Butylthiophene

• CAS: 34722-01-5
• Catalog Number: ACM34722015
• Category: Thiophenes
• Molecular Weight: 140.25
• Molecular Formula: C8H12S
• Synonyms: Thiophene, 3-butyl-
• IUPAC Name: 3-butylthiophene
• Canonical SMILES: CCCCC1=CSC=C1
• InChI: InChI=1S/C8H12S/c1-2-3-4-8-5-6-9-7-8/h5-7H,2-4H2,1H3
• InChI Key: KPOCSQCZXMATFR-UHFFFAOYSA-N
• Boiling Point: 181-183 °C
• Flash Point: 60 °C(lit.)
• Density: 0.957 g/mL at 25 °C(lit.)
• Appearance: Colourless Solid
• Complexity: 71
• Covalently-Bonded Unit Count: 1
• Exact Mass: 140.065972g/mol
• Formal Charge: 0
• H-Bond Acceptor: 1
• H-Bond Donor: 0
• Heavy Atom Count: 9
• Monoisotopic Mass: 140.065972g/mol
• Rotatable Bond Count: 3
• XLogP3: 3.9

Custom Q&A

What is the PubChem CID of 3-Butylthiophene?

The PubChem CID of 3-Butylthiophene is 566339.

What is the molecular formula of 3-Butylthiophene?

The molecular formula of 3-Butylthiophene is C8H12S.

What is the molecular weight of 3-Butylthiophene?

The molecular weight of 3-Butylthiophene is 140.25 g/mol.

What is the IUPAC Name of 3-Butylthiophene?

The IUPAC Name of 3-Butylthiophene is 3-butylthiophene.

What is the InChIKey of 3-Butylthiophene?

The InChIKey of 3-Butylthiophene is KPOCSQCZXMATFR-UHFFFAOYSA-N.

What is the canonical SMILES of 3-Butylthiophene?

The canonical SMILES of 3-Butylthiophene is CCCCC1=CSC=C1.

What is the CAS number of 3-Butylthiophene?

The CAS number of 3-Butylthiophene is 34722-01-5.

What is the XLogP3 value of 3-Butylthiophene?

The XLogP3 value of 3-Butylthiophene is 3.9.

What is the hydrogen bond donor count of 3-Butylthiophene?

The hydrogen bond donor count of 3-Butylthiophene is 0.

Is 3-Butylthiophene a canonicalized compound?

Yes, 3-Butylthiophene is a canonicalized compound according to PubChem.