2,5-bis(2-methylpropyl)thiophene

C12H20S — CID 592714

IUPAC2,5-bis(2-methylpropyl)thiophene
SMILESCC(C)Cc1ccc(CC(C)C)s1
InChIInChI=1S/C12H20S/c1-9(2)7-11-5-6-12(13-11)8-10(3)4/h5-6,9-10H,7-8H2,1-4H3
InChIKeyDUKLFSDDEVHMJB-UHFFFAOYSA-N
MW196.36 g/mol
LogP4.15
Rot. Bonds4

About 2,5-bis(2-methylpropyl)thiophene

2,5-bis(2-methylpropyl)thiophene (PubChem CID 592714) has the molecular formula C12H20S and a molecular weight of 196.36 g/mol. Its IUPAC name is 2,5-bis(2-methylpropyl)thiophene.

Molecular Properties

Compound Name2,5-bis(2-methylpropyl)thiophene
PubChem CID592714
Molecular FormulaC12H20S
Molecular Weight196.36 g/mol
Exact Mass196.13
IUPAC Name2,5-bis(2-methylpropyl)thiophene
SMILESCC(C)Cc1ccc(CC(C)C)s1
InChIInChI=1S/C12H20S/c1-9(2)7-11-5-6-12(13-11)8-10(3)4/h5-6,9-10H,7-8H2,1-4H3
InChIKeyDUKLFSDDEVHMJB-UHFFFAOYSA-N
XLogP4.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.36
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,5-bis(2-methylpropyl)thiophene?
The IUPAC name of 2,5-bis(2-methylpropyl)thiophene (CID 592714) is 2,5-bis(2-methylpropyl)thiophene.
What is the SMILES notation for 2,5-bis(2-methylpropyl)thiophene?
The canonical SMILES for 2,5-bis(2-methylpropyl)thiophene is CC(C)Cc1ccc(CC(C)C)s1.
What is the InChIKey of 2,5-bis(2-methylpropyl)thiophene?
The InChIKey is DUKLFSDDEVHMJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20S/c1-9(2)7-11-5-6-12(13-11)8-10(3)4/h5-6,9-10H,7-8H2,1-4H3.
What are the key properties of 2,5-bis(2-methylpropyl)thiophene?
2,5-bis(2-methylpropyl)thiophene has a molecular weight of 196.36 g/mol, XLogP of 4.15, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-bis(2-methylpropyl)thiophene is sourced from PubChem (CID 592714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).