6-propyl-3,4-dihydro-2H-thiopyran

C8H14S — CID 14926116

IUPAC6-propyl-3,4-dihydro-2H-thiopyran
SMILESCCCC1=CCCCS1
InChIInChI=1S/C8H14S/c1-2-5-8-6-3-4-7-9-8/h6H,2-5,7H2,1H3
InChIKeyKVDKQRWQPIZVTL-UHFFFAOYSA-N
MW142.27 g/mol
LogP3.20
Rot. Bonds2

About 6-propyl-3,4-dihydro-2H-thiopyran

6-propyl-3,4-dihydro-2H-thiopyran (PubChem CID 14926116) has the molecular formula C8H14S and a molecular weight of 142.27 g/mol. Its IUPAC name is 6-propyl-3,4-dihydro-2H-thiopyran.

Molecular Properties

Compound Name6-propyl-3,4-dihydro-2H-thiopyran
PubChem CID14926116
Molecular FormulaC8H14S
Molecular Weight142.27 g/mol
Exact Mass142.08
IUPAC Name6-propyl-3,4-dihydro-2H-thiopyran
SMILESCCCC1=CCCCS1
InChIInChI=1S/C8H14S/c1-2-5-8-6-3-4-7-9-8/h6H,2-5,7H2,1H3
InChIKeyKVDKQRWQPIZVTL-UHFFFAOYSA-N
XLogP3.20
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 ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-propyl-3,4-dihydro-2H-thiopyran?
The IUPAC name of 6-propyl-3,4-dihydro-2H-thiopyran (CID 14926116) is 6-propyl-3,4-dihydro-2H-thiopyran.
What is the SMILES notation for 6-propyl-3,4-dihydro-2H-thiopyran?
The canonical SMILES for 6-propyl-3,4-dihydro-2H-thiopyran is CCCC1=CCCCS1.
What is the InChIKey of 6-propyl-3,4-dihydro-2H-thiopyran?
The InChIKey is KVDKQRWQPIZVTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14S/c1-2-5-8-6-3-4-7-9-8/h6H,2-5,7H2,1H3.
What are the key properties of 6-propyl-3,4-dihydro-2H-thiopyran?
6-propyl-3,4-dihydro-2H-thiopyran has a molecular weight of 142.27 g/mol, XLogP of 3.20, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-propyl-3,4-dihydro-2H-thiopyran is sourced from PubChem (CID 14926116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).