3-hexylthiophene 1-oxide

C10H16OS — CID 69024912

IUPAC3-hexylthiophene 1-oxide
SMILESCCCCCCC1=CS(=O)C=C1
InChIInChI=1S/C10H16OS/c1-2-3-4-5-6-10-7-8-12(11)9-10/h7-9H,2-6H2,1H3
InChIKeyQSVIZMBJZAFLDQ-UHFFFAOYSA-N
MW184.30 g/mol
LogP3.12
Rot. Bonds5

About 3-hexylthiophene 1-oxide

3-hexylthiophene 1-oxide (PubChem CID 69024912) has the molecular formula C10H16OS and a molecular weight of 184.30 g/mol. Its IUPAC name is 3-hexylthiophene 1-oxide.

Molecular Properties

Compound Name3-hexylthiophene 1-oxide
PubChem CID69024912
Molecular FormulaC10H16OS
Molecular Weight184.30 g/mol
Exact Mass184.09
IUPAC Name3-hexylthiophene 1-oxide
SMILESCCCCCCC1=CS(=O)C=C1
InChIInChI=1S/C10H16OS/c1-2-3-4-5-6-10-7-8-12(11)9-10/h7-9H,2-6H2,1H3
InChIKeyQSVIZMBJZAFLDQ-UHFFFAOYSA-N
XLogP3.12
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.30
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-hexylthiophene 1-oxide?
The IUPAC name of 3-hexylthiophene 1-oxide (CID 69024912) is 3-hexylthiophene 1-oxide.
What is the SMILES notation for 3-hexylthiophene 1-oxide?
The canonical SMILES for 3-hexylthiophene 1-oxide is CCCCCCC1=CS(=O)C=C1.
What is the InChIKey of 3-hexylthiophene 1-oxide?
The InChIKey is QSVIZMBJZAFLDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16OS/c1-2-3-4-5-6-10-7-8-12(11)9-10/h7-9H,2-6H2,1H3.
What are the key properties of 3-hexylthiophene 1-oxide?
3-hexylthiophene 1-oxide has a molecular weight of 184.30 g/mol, XLogP of 3.12, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hexylthiophene 1-oxide is sourced from PubChem (CID 69024912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).