3,4-dihydro-2H-thiopyran-2-carbaldehyde

C6H8OS — CID 86218525

IUPAC3,4-dihydro-2H-thiopyran-2-carbaldehyde
SMILESO=CC1CCC=CS1
InChIInChI=1S/C6H8OS/c7-5-6-3-1-2-4-8-6/h2,4-6H,1,3H2
InChIKeyCKSZSIUCWSCLFD-UHFFFAOYSA-N
MW128.20 g/mol
LogP1.59
Rot. Bonds1

About 3,4-dihydro-2H-thiopyran-2-carbaldehyde

3,4-dihydro-2H-thiopyran-2-carbaldehyde (PubChem CID 86218525) has the molecular formula C6H8OS and a molecular weight of 128.20 g/mol. Its IUPAC name is 3,4-dihydro-2H-thiopyran-2-carbaldehyde.

Molecular Properties

Compound Name3,4-dihydro-2H-thiopyran-2-carbaldehyde
PubChem CID86218525
Molecular FormulaC6H8OS
Molecular Weight128.20 g/mol
Exact Mass128.03
IUPAC Name3,4-dihydro-2H-thiopyran-2-carbaldehyde
SMILESO=CC1CCC=CS1
InChIInChI=1S/C6H8OS/c7-5-6-3-1-2-4-8-6/h2,4-6H,1,3H2
InChIKeyCKSZSIUCWSCLFD-UHFFFAOYSA-N
XLogP1.59
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
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 3,4-dihydro-2H-thiopyran-2-carbaldehyde?
The IUPAC name of 3,4-dihydro-2H-thiopyran-2-carbaldehyde (CID 86218525) is 3,4-dihydro-2H-thiopyran-2-carbaldehyde.
What is the SMILES notation for 3,4-dihydro-2H-thiopyran-2-carbaldehyde?
The canonical SMILES for 3,4-dihydro-2H-thiopyran-2-carbaldehyde is O=CC1CCC=CS1.
What is the InChIKey of 3,4-dihydro-2H-thiopyran-2-carbaldehyde?
The InChIKey is CKSZSIUCWSCLFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8OS/c7-5-6-3-1-2-4-8-6/h2,4-6H,1,3H2.
What are the key properties of 3,4-dihydro-2H-thiopyran-2-carbaldehyde?
3,4-dihydro-2H-thiopyran-2-carbaldehyde has a molecular weight of 128.20 g/mol, XLogP of 1.59, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-2H-thiopyran-2-carbaldehyde is sourced from PubChem (CID 86218525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).