2-(2-methylpropyl)thiophene

C8H12S — CID 566432

IUPAC2-(2-methylpropyl)thiophene
SMILESCC(C)Cc1cccs1
InChIInChI=1S/C8H12S/c1-7(2)6-8-4-3-5-9-8/h3-5,7H,6H2,1-2H3
InChIKeyQZNOAPDUAPUERP-UHFFFAOYSA-N
MW140.25 g/mol
LogP2.95
Rot. Bonds2

About 2-(2-methylpropyl)thiophene

2-(2-methylpropyl)thiophene (PubChem CID 566432) has the molecular formula C8H12S and a molecular weight of 140.25 g/mol. Its IUPAC name is 2-(2-methylpropyl)thiophene.

Molecular Properties

Compound Name2-(2-methylpropyl)thiophene
PubChem CID566432
Molecular FormulaC8H12S
Molecular Weight140.25 g/mol
Exact Mass140.07
IUPAC Name2-(2-methylpropyl)thiophene
SMILESCC(C)Cc1cccs1
InChIInChI=1S/C8H12S/c1-7(2)6-8-4-3-5-9-8/h3-5,7H,6H2,1-2H3
InChIKeyQZNOAPDUAPUERP-UHFFFAOYSA-N
XLogP2.95
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.25
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpropyl)thiophene?
The IUPAC name of 2-(2-methylpropyl)thiophene (CID 566432) is 2-(2-methylpropyl)thiophene.
What is the SMILES notation for 2-(2-methylpropyl)thiophene?
The canonical SMILES for 2-(2-methylpropyl)thiophene is CC(C)Cc1cccs1.
What is the InChIKey of 2-(2-methylpropyl)thiophene?
The InChIKey is QZNOAPDUAPUERP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12S/c1-7(2)6-8-4-3-5-9-8/h3-5,7H,6H2,1-2H3.
What are the key properties of 2-(2-methylpropyl)thiophene?
2-(2-methylpropyl)thiophene has a molecular weight of 140.25 g/mol, XLogP of 2.95, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropyl)thiophene is sourced from PubChem (CID 566432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).