2-(2,3-dihydrothiophen-2-yl)acetaldehyde

C6H8OS — CID 118369424

IUPAC2-(2,3-dihydrothiophen-2-yl)acetaldehyde
SMILESO=CCC1CC=CS1
InChIInChI=1S/C6H8OS/c7-4-3-6-2-1-5-8-6/h1,4-6H,2-3H2
InChIKeyDWJXUJMYEMFQKV-UHFFFAOYSA-N
MW128.20 g/mol
LogP1.59
Rot. Bonds2

About 2-(2,3-dihydrothiophen-2-yl)acetaldehyde

2-(2,3-dihydrothiophen-2-yl)acetaldehyde (PubChem CID 118369424) has the molecular formula C6H8OS and a molecular weight of 128.20 g/mol. Its IUPAC name is 2-(2,3-dihydrothiophen-2-yl)acetaldehyde.

Molecular Properties

Compound Name2-(2,3-dihydrothiophen-2-yl)acetaldehyde
PubChem CID118369424
Molecular FormulaC6H8OS
Molecular Weight128.20 g/mol
Exact Mass128.03
IUPAC Name2-(2,3-dihydrothiophen-2-yl)acetaldehyde
SMILESO=CCC1CC=CS1
InChIInChI=1S/C6H8OS/c7-4-3-6-2-1-5-8-6/h1,4-6H,2-3H2
InChIKeyDWJXUJMYEMFQKV-UHFFFAOYSA-N
XLogP1.59
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.20
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydrothiophen-2-yl)acetaldehyde?
The IUPAC name of 2-(2,3-dihydrothiophen-2-yl)acetaldehyde (CID 118369424) is 2-(2,3-dihydrothiophen-2-yl)acetaldehyde.
What is the SMILES notation for 2-(2,3-dihydrothiophen-2-yl)acetaldehyde?
The canonical SMILES for 2-(2,3-dihydrothiophen-2-yl)acetaldehyde is O=CCC1CC=CS1.
What is the InChIKey of 2-(2,3-dihydrothiophen-2-yl)acetaldehyde?
The InChIKey is DWJXUJMYEMFQKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8OS/c7-4-3-6-2-1-5-8-6/h1,4-6H,2-3H2.
What are the key properties of 2-(2,3-dihydrothiophen-2-yl)acetaldehyde?
2-(2,3-dihydrothiophen-2-yl)acetaldehyde has a molecular weight of 128.20 g/mol, XLogP of 1.59, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydrothiophen-2-yl)acetaldehyde is sourced from PubChem (CID 118369424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).