2,5-dichloro-3-pentan-2-ylthiophene

C9H12Cl2S — CID 134403259

IUPAC2,5-dichloro-3-pentan-2-ylthiophene
SMILESCCCC(C)c1cc(Cl)sc1Cl
InChIInChI=1S/C9H12Cl2S/c1-3-4-6(2)7-5-8(10)12-9(7)11/h5-6H,3-4H2,1-2H3
InChIKeyISWSDSGXFHWOKQ-UHFFFAOYSA-N
MW223.17 g/mol
LogP4.96
Rot. Bonds3

About 2,5-dichloro-3-pentan-2-ylthiophene

2,5-dichloro-3-pentan-2-ylthiophene (PubChem CID 134403259) has the molecular formula C9H12Cl2S and a molecular weight of 223.17 g/mol. Its IUPAC name is 2,5-dichloro-3-pentan-2-ylthiophene.

Molecular Properties

Compound Name2,5-dichloro-3-pentan-2-ylthiophene
PubChem CID134403259
Molecular FormulaC9H12Cl2S
Molecular Weight223.17 g/mol
Exact Mass222.00
IUPAC Name2,5-dichloro-3-pentan-2-ylthiophene
SMILESCCCC(C)c1cc(Cl)sc1Cl
InChIInChI=1S/C9H12Cl2S/c1-3-4-6(2)7-5-8(10)12-9(7)11/h5-6H,3-4H2,1-2H3
InChIKeyISWSDSGXFHWOKQ-UHFFFAOYSA-N
XLogP4.96
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.17
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-3-pentan-2-ylthiophene?
The IUPAC name of 2,5-dichloro-3-pentan-2-ylthiophene (CID 134403259) is 2,5-dichloro-3-pentan-2-ylthiophene.
What is the SMILES notation for 2,5-dichloro-3-pentan-2-ylthiophene?
The canonical SMILES for 2,5-dichloro-3-pentan-2-ylthiophene is CCCC(C)c1cc(Cl)sc1Cl.
What is the InChIKey of 2,5-dichloro-3-pentan-2-ylthiophene?
The InChIKey is ISWSDSGXFHWOKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12Cl2S/c1-3-4-6(2)7-5-8(10)12-9(7)11/h5-6H,3-4H2,1-2H3.
What are the key properties of 2,5-dichloro-3-pentan-2-ylthiophene?
2,5-dichloro-3-pentan-2-ylthiophene has a molecular weight of 223.17 g/mol, XLogP of 4.96, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-3-pentan-2-ylthiophene is sourced from PubChem (CID 134403259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).