5-prop-1-ynylthiophene-2-carbaldehyde

C8H6OS — CID 10931604

IUPAC5-prop-1-ynylthiophene-2-carbaldehyde
SMILESCC#Cc1ccc(C=O)s1
InChIInChI=1S/C8H6OS/c1-2-3-7-4-5-8(6-9)10-7/h4-6H,1H3
InChIKeyFUWKMBKNSCUZOH-UHFFFAOYSA-N
MW150.20 g/mol
LogP1.93
Rot. Bonds1

About 5-prop-1-ynylthiophene-2-carbaldehyde

5-prop-1-ynylthiophene-2-carbaldehyde (PubChem CID 10931604) has the molecular formula C8H6OS and a molecular weight of 150.20 g/mol. Its IUPAC name is 5-prop-1-ynylthiophene-2-carbaldehyde.

Molecular Properties

Compound Name5-prop-1-ynylthiophene-2-carbaldehyde
PubChem CID10931604
Molecular FormulaC8H6OS
Molecular Weight150.20 g/mol
Exact Mass150.01
IUPAC Name5-prop-1-ynylthiophene-2-carbaldehyde
SMILESCC#Cc1ccc(C=O)s1
InChIInChI=1S/C8H6OS/c1-2-3-7-4-5-8(6-9)10-7/h4-6H,1H3
InChIKeyFUWKMBKNSCUZOH-UHFFFAOYSA-N
XLogP1.93
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.20
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-prop-1-ynylthiophene-2-carbaldehyde?
The IUPAC name of 5-prop-1-ynylthiophene-2-carbaldehyde (CID 10931604) is 5-prop-1-ynylthiophene-2-carbaldehyde.
What is the SMILES notation for 5-prop-1-ynylthiophene-2-carbaldehyde?
The canonical SMILES for 5-prop-1-ynylthiophene-2-carbaldehyde is CC#Cc1ccc(C=O)s1.
What is the InChIKey of 5-prop-1-ynylthiophene-2-carbaldehyde?
The InChIKey is FUWKMBKNSCUZOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6OS/c1-2-3-7-4-5-8(6-9)10-7/h4-6H,1H3.
What are the key properties of 5-prop-1-ynylthiophene-2-carbaldehyde?
5-prop-1-ynylthiophene-2-carbaldehyde has a molecular weight of 150.20 g/mol, XLogP of 1.93, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-prop-1-ynylthiophene-2-carbaldehyde is sourced from PubChem (CID 10931604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).