2-butyl-3-methylthiophene

C9H14S — CID 12668147

IUPAC2-butyl-3-methylthiophene
SMILESCCCCc1sccc1C
InChIInChI=1S/C9H14S/c1-3-4-5-9-8(2)6-7-10-9/h6-7H,3-5H2,1-2H3
InChIKeyHTAZKFRPZRZPKE-UHFFFAOYSA-N
MW154.28 g/mol
LogP3.40
Rot. Bonds3

About 2-butyl-3-methylthiophene

2-butyl-3-methylthiophene (PubChem CID 12668147) has the molecular formula C9H14S and a molecular weight of 154.28 g/mol. Its IUPAC name is 2-butyl-3-methylthiophene.

Molecular Properties

Compound Name2-butyl-3-methylthiophene
PubChem CID12668147
Molecular FormulaC9H14S
Molecular Weight154.28 g/mol
Exact Mass154.08
IUPAC Name2-butyl-3-methylthiophene
SMILESCCCCc1sccc1C
InChIInChI=1S/C9H14S/c1-3-4-5-9-8(2)6-7-10-9/h6-7H,3-5H2,1-2H3
InChIKeyHTAZKFRPZRZPKE-UHFFFAOYSA-N
XLogP3.40
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.28
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-Pentylthiophene
CID 20995
2-Ethylthiophene
CID 13388
2-Hexylthiophene
CID 87793
2-Butylthiophene
CID 73818
2-Octylthiophene
CID 70153
2,4-Dimethylthiophene
CID 34296
2-Propylthiophene
CID 73771
2-Butyl-5-ethylthiophene
CID 521504
2,3-Dimethylthiophene
CID 34295
3-Phenylthiophene
CID 75473
2-Phenylthiophene
CID 69999
3-Methylbenzo[b]thiophene
CID 73817

Frequently Asked Questions

What is the IUPAC name of 2-butyl-3-methylthiophene?
The IUPAC name of 2-butyl-3-methylthiophene (CID 12668147) is 2-butyl-3-methylthiophene.
What is the SMILES notation for 2-butyl-3-methylthiophene?
The canonical SMILES for 2-butyl-3-methylthiophene is CCCCc1sccc1C.
What is the InChIKey of 2-butyl-3-methylthiophene?
The InChIKey is HTAZKFRPZRZPKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14S/c1-3-4-5-9-8(2)6-7-10-9/h6-7H,3-5H2,1-2H3.
What are the key properties of 2-butyl-3-methylthiophene?
2-butyl-3-methylthiophene has a molecular weight of 154.28 g/mol, XLogP of 3.40, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-3-methylthiophene is sourced from PubChem (CID 12668147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).