3-butylthiophene

C8H12S — CID 566339

IUPAC3-butylthiophene
SMILESCCCCc1ccsc1
InChIInChI=1S/C8H12S/c1-2-3-4-8-5-6-9-7-8/h5-7H,2-4H2,1H3
InChIKeyKPOCSQCZXMATFR-UHFFFAOYSA-N
MW140.25 g/mol
LogP3.09
Rot. Bonds3

About 3-butylthiophene

3-butylthiophene (PubChem CID 566339) has the molecular formula C8H12S and a molecular weight of 140.25 g/mol. Its IUPAC name is 3-butylthiophene.

Molecular Properties

Compound Name3-butylthiophene
PubChem CID566339
Molecular FormulaC8H12S
Molecular Weight140.25 g/mol
Exact Mass140.07
IUPAC Name3-butylthiophene
SMILESCCCCc1ccsc1
InChIInChI=1S/C8H12S/c1-2-3-4-8-5-6-9-7-8/h5-7H,2-4H2,1H3
InChIKeyKPOCSQCZXMATFR-UHFFFAOYSA-N
XLogP3.09
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.25
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2,4-Dimethylthiophene
CID 34296
2,3-Dimethylthiophene
CID 34295
3-Ethylthiophene
CID 74530
2-Phenylthiophene
CID 69999
3,4-Diethylthiophene
CID 520753
2,3,5-Trimethylthiophene
CID 74531
3-Hexadecylthiophene
CID 2769638
2-Bromo-3-n-octylthiophene
CID 10754854
2-Bromo-3-butylthiophene
CID 15354891
3-Propylthiophene
CID 519073
3-(4-Methylpent-3-enyl)thiophene
CID 566107
Thiophene, 2-(2-phenylethenyl)-
CID 1241314

Frequently Asked Questions

What is the IUPAC name of 3-butylthiophene?
The IUPAC name of 3-butylthiophene (CID 566339) is 3-butylthiophene.
What is the SMILES notation for 3-butylthiophene?
The canonical SMILES for 3-butylthiophene is CCCCc1ccsc1.
What is the InChIKey of 3-butylthiophene?
The InChIKey is KPOCSQCZXMATFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12S/c1-2-3-4-8-5-6-9-7-8/h5-7H,2-4H2,1H3.
What are the key properties of 3-butylthiophene?
3-butylthiophene has a molecular weight of 140.25 g/mol, XLogP of 3.09, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butylthiophene is sourced from PubChem (CID 566339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).