2,5-dimethyl-3-propan-2-ylthiophene

C9H14S — CID 6429968

IUPAC2,5-dimethyl-3-propan-2-ylthiophene
SMILESCc1cc(C(C)C)c(C)s1
InChIInChI=1S/C9H14S/c1-6(2)9-5-7(3)10-8(9)4/h5-6H,1-4H3
InChIKeyPWNGEHQRNOJNNI-UHFFFAOYSA-N
MW154.28 g/mol
LogP3.49
Rot. Bonds1

About 2,5-dimethyl-3-propan-2-ylthiophene

2,5-dimethyl-3-propan-2-ylthiophene (PubChem CID 6429968) has the molecular formula C9H14S and a molecular weight of 154.28 g/mol. Its IUPAC name is 2,5-dimethyl-3-propan-2-ylthiophene.

Molecular Properties

Compound Name2,5-dimethyl-3-propan-2-ylthiophene
PubChem CID6429968
Molecular FormulaC9H14S
Molecular Weight154.28 g/mol
Exact Mass154.08
IUPAC Name2,5-dimethyl-3-propan-2-ylthiophene
SMILESCc1cc(C(C)C)c(C)s1
InChIInChI=1S/C9H14S/c1-6(2)9-5-7(3)10-8(9)4/h5-6H,1-4H3
InChIKeyPWNGEHQRNOJNNI-UHFFFAOYSA-N
XLogP3.49
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.28
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-3-propan-2-ylthiophene?
The IUPAC name of 2,5-dimethyl-3-propan-2-ylthiophene (CID 6429968) is 2,5-dimethyl-3-propan-2-ylthiophene.
What is the SMILES notation for 2,5-dimethyl-3-propan-2-ylthiophene?
The canonical SMILES for 2,5-dimethyl-3-propan-2-ylthiophene is Cc1cc(C(C)C)c(C)s1.
What is the InChIKey of 2,5-dimethyl-3-propan-2-ylthiophene?
The InChIKey is PWNGEHQRNOJNNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14S/c1-6(2)9-5-7(3)10-8(9)4/h5-6H,1-4H3.
What are the key properties of 2,5-dimethyl-3-propan-2-ylthiophene?
2,5-dimethyl-3-propan-2-ylthiophene has a molecular weight of 154.28 g/mol, XLogP of 3.49, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-3-propan-2-ylthiophene is sourced from PubChem (CID 6429968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).