2-butyl-5-chlorothiophene

C8H11ClS — CID 54565567

IUPAC2-butyl-5-chlorothiophene
SMILESCCCCc1ccc(Cl)s1
InChIInChI=1S/C8H11ClS/c1-2-3-4-7-5-6-8(9)10-7/h5-6H,2-4H2,1H3
InChIKeyOJPYEQFWRAUQEK-UHFFFAOYSA-N
MW174.70 g/mol
LogP3.74
Rot. Bonds3

About 2-butyl-5-chlorothiophene

2-butyl-5-chlorothiophene (PubChem CID 54565567) has the molecular formula C8H11ClS and a molecular weight of 174.70 g/mol. Its IUPAC name is 2-butyl-5-chlorothiophene.

Molecular Properties

Compound Name2-butyl-5-chlorothiophene
PubChem CID54565567
Molecular FormulaC8H11ClS
Molecular Weight174.70 g/mol
Exact Mass174.03
IUPAC Name2-butyl-5-chlorothiophene
SMILESCCCCc1ccc(Cl)s1
InChIInChI=1S/C8H11ClS/c1-2-3-4-7-5-6-8(9)10-7/h5-6H,2-4H2,1H3
InChIKeyOJPYEQFWRAUQEK-UHFFFAOYSA-N
XLogP3.74
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.70
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-butyl-5-chlorothiophene?
The IUPAC name of 2-butyl-5-chlorothiophene (CID 54565567) is 2-butyl-5-chlorothiophene.
What is the SMILES notation for 2-butyl-5-chlorothiophene?
The canonical SMILES for 2-butyl-5-chlorothiophene is CCCCc1ccc(Cl)s1.
What is the InChIKey of 2-butyl-5-chlorothiophene?
The InChIKey is OJPYEQFWRAUQEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClS/c1-2-3-4-7-5-6-8(9)10-7/h5-6H,2-4H2,1H3.
What are the key properties of 2-butyl-5-chlorothiophene?
2-butyl-5-chlorothiophene has a molecular weight of 174.70 g/mol, XLogP of 3.74, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-5-chlorothiophene is sourced from PubChem (CID 54565567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).