2,3-dibutylthiophene

C12H20S — CID 19086614

IUPAC2,3-dibutylthiophene
SMILESCCCCc1ccsc1CCCC
InChIInChI=1S/C12H20S/c1-3-5-7-11-9-10-13-12(11)8-6-4-2/h9-10H,3-8H2,1-2H3
InChIKeyUTVMPRVWJBXMIH-UHFFFAOYSA-N
MW196.36 g/mol
LogP4.43
Rot. Bonds6

About 2,3-dibutylthiophene

2,3-dibutylthiophene (PubChem CID 19086614) has the molecular formula C12H20S and a molecular weight of 196.36 g/mol. Its IUPAC name is 2,3-dibutylthiophene.

Molecular Properties

Compound Name2,3-dibutylthiophene
PubChem CID19086614
Molecular FormulaC12H20S
Molecular Weight196.36 g/mol
Exact Mass196.13
IUPAC Name2,3-dibutylthiophene
SMILESCCCCc1ccsc1CCCC
InChIInChI=1S/C12H20S/c1-3-5-7-11-9-10-13-12(11)8-6-4-2/h9-10H,3-8H2,1-2H3
InChIKeyUTVMPRVWJBXMIH-UHFFFAOYSA-N
XLogP4.43
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.36
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,3-dibutylthiophene?
The IUPAC name of 2,3-dibutylthiophene (CID 19086614) is 2,3-dibutylthiophene.
What is the SMILES notation for 2,3-dibutylthiophene?
The canonical SMILES for 2,3-dibutylthiophene is CCCCc1ccsc1CCCC.
What is the InChIKey of 2,3-dibutylthiophene?
The InChIKey is UTVMPRVWJBXMIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20S/c1-3-5-7-11-9-10-13-12(11)8-6-4-2/h9-10H,3-8H2,1-2H3.
What are the key properties of 2,3-dibutylthiophene?
2,3-dibutylthiophene has a molecular weight of 196.36 g/mol, XLogP of 4.43, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dibutylthiophene is sourced from PubChem (CID 19086614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).