3-propyl-3,6-dihydro-2H-thiopyran

C8H14S — CID 91320962

IUPAC3-propyl-3,6-dihydro-2H-thiopyran
SMILESCCCC1C=CCSC1
InChIInChI=1S/C8H14S/c1-2-4-8-5-3-6-9-7-8/h3,5,8H,2,4,6-7H2,1H3
InChIKeyZZDBYGATNKNLJS-UHFFFAOYSA-N
MW142.27 g/mol
LogP2.71
Rot. Bonds2

About 3-propyl-3,6-dihydro-2H-thiopyran

3-propyl-3,6-dihydro-2H-thiopyran (PubChem CID 91320962) has the molecular formula C8H14S and a molecular weight of 142.27 g/mol. Its IUPAC name is 3-propyl-3,6-dihydro-2H-thiopyran.

Molecular Properties

Compound Name3-propyl-3,6-dihydro-2H-thiopyran
PubChem CID91320962
Molecular FormulaC8H14S
Molecular Weight142.27 g/mol
Exact Mass142.08
IUPAC Name3-propyl-3,6-dihydro-2H-thiopyran
SMILESCCCC1C=CCSC1
InChIInChI=1S/C8H14S/c1-2-4-8-5-3-6-9-7-8/h3,5,8H,2,4,6-7H2,1H3
InChIKeyZZDBYGATNKNLJS-UHFFFAOYSA-N
XLogP2.71
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.27
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-propyl-3,6-dihydro-2H-thiopyran?
The IUPAC name of 3-propyl-3,6-dihydro-2H-thiopyran (CID 91320962) is 3-propyl-3,6-dihydro-2H-thiopyran.
What is the SMILES notation for 3-propyl-3,6-dihydro-2H-thiopyran?
The canonical SMILES for 3-propyl-3,6-dihydro-2H-thiopyran is CCCC1C=CCSC1.
What is the InChIKey of 3-propyl-3,6-dihydro-2H-thiopyran?
The InChIKey is ZZDBYGATNKNLJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14S/c1-2-4-8-5-3-6-9-7-8/h3,5,8H,2,4,6-7H2,1H3.
What are the key properties of 3-propyl-3,6-dihydro-2H-thiopyran?
3-propyl-3,6-dihydro-2H-thiopyran has a molecular weight of 142.27 g/mol, XLogP of 2.71, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propyl-3,6-dihydro-2H-thiopyran is sourced from PubChem (CID 91320962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).