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

C8H14S — CID 57196214

IUPAC5-propyl-3,6-dihydro-2H-thiopyran
SMILESCCCC1=CCCSC1
InChIInChI=1S/C8H14S/c1-2-4-8-5-3-6-9-7-8/h5H,2-4,6-7H2,1H3
InChIKeyRHUROKVBBOYREE-UHFFFAOYSA-N
MW142.27 g/mol
LogP2.85
Rot. Bonds2

About 5-propyl-3,6-dihydro-2H-thiopyran

5-propyl-3,6-dihydro-2H-thiopyran (PubChem CID 57196214) has the molecular formula C8H14S and a molecular weight of 142.27 g/mol. Its IUPAC name is 5-propyl-3,6-dihydro-2H-thiopyran.

Molecular Properties

Compound Name5-propyl-3,6-dihydro-2H-thiopyran
PubChem CID57196214
Molecular FormulaC8H14S
Molecular Weight142.27 g/mol
Exact Mass142.08
IUPAC Name5-propyl-3,6-dihydro-2H-thiopyran
SMILESCCCC1=CCCSC1
InChIInChI=1S/C8H14S/c1-2-4-8-5-3-6-9-7-8/h5H,2-4,6-7H2,1H3
InChIKeyRHUROKVBBOYREE-UHFFFAOYSA-N
XLogP2.85
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 ≤ 52.85
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 5-propyl-3,6-dihydro-2H-thiopyran?
The IUPAC name of 5-propyl-3,6-dihydro-2H-thiopyran (CID 57196214) is 5-propyl-3,6-dihydro-2H-thiopyran.
What is the SMILES notation for 5-propyl-3,6-dihydro-2H-thiopyran?
The canonical SMILES for 5-propyl-3,6-dihydro-2H-thiopyran is CCCC1=CCCSC1.
What is the InChIKey of 5-propyl-3,6-dihydro-2H-thiopyran?
The InChIKey is RHUROKVBBOYREE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14S/c1-2-4-8-5-3-6-9-7-8/h5H,2-4,6-7H2,1H3.
What are the key properties of 5-propyl-3,6-dihydro-2H-thiopyran?
5-propyl-3,6-dihydro-2H-thiopyran has a molecular weight of 142.27 g/mol, XLogP of 2.85, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propyl-3,6-dihydro-2H-thiopyran is sourced from PubChem (CID 57196214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).