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

C8H14S — CID 15130795

IUPAC2-propyl-3,6-dihydro-2H-thiopyran
SMILESCCCC1CC=CCS1
InChIInChI=1S/C8H14S/c1-2-5-8-6-3-4-7-9-8/h3-4,8H,2,5-7H2,1H3
InChIKeyXYSIMUPYDWSKDC-UHFFFAOYSA-N
MW142.27 g/mol
LogP2.85
Rot. Bonds2

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

2-propyl-3,6-dihydro-2H-thiopyran (PubChem CID 15130795) has the molecular formula C8H14S and a molecular weight of 142.27 g/mol. Its IUPAC name is 2-propyl-3,6-dihydro-2H-thiopyran.

Molecular Properties

Compound Name2-propyl-3,6-dihydro-2H-thiopyran
PubChem CID15130795
Molecular FormulaC8H14S
Molecular Weight142.27 g/mol
Exact Mass142.08
IUPAC Name2-propyl-3,6-dihydro-2H-thiopyran
SMILESCCCC1CC=CCS1
InChIInChI=1S/C8H14S/c1-2-5-8-6-3-4-7-9-8/h3-4,8H,2,5-7H2,1H3
InChIKeyXYSIMUPYDWSKDC-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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Related Compounds

3,6-Dihydro-2H-thiopyran
CID 567880
2H-Thiopyran,3,4-dihydro-6-methyl-
CID 139371
2-Pentylthiapyran
CID 526620
1-(Methylthio)cyclohexene
CID 5325878
Dhwyccuuwkegof-uhfffaoysa-
CID 10920955
S-[(1S)-cyclohex-2-en-1-yl] ethanethioate
CID 11389519
2-Ethyl-5-methyl-2,5-dihydrothiophene
CID 12204283
2-Propyl-2,5-dihydrothiophene
CID 15032355
3-Ethylsulfanylcyclohexene
CID 10975594
5-Butyl-2,3-dihydrothiophene
CID 11062496
7-Thiabicyclo[4.1.0]hept-3-ene
CID 12581883
3-(Methylsulfanylmethyl)cyclohexene
CID 12936957

Frequently Asked Questions

What is the IUPAC name of 2-propyl-3,6-dihydro-2H-thiopyran?
The IUPAC name of 2-propyl-3,6-dihydro-2H-thiopyran (CID 15130795) is 2-propyl-3,6-dihydro-2H-thiopyran.
What is the SMILES notation for 2-propyl-3,6-dihydro-2H-thiopyran?
The canonical SMILES for 2-propyl-3,6-dihydro-2H-thiopyran is CCCC1CC=CCS1.
What is the InChIKey of 2-propyl-3,6-dihydro-2H-thiopyran?
The InChIKey is XYSIMUPYDWSKDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14S/c1-2-5-8-6-3-4-7-9-8/h3-4,8H,2,5-7H2,1H3.
What are the key properties of 2-propyl-3,6-dihydro-2H-thiopyran?
2-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 2-propyl-3,6-dihydro-2H-thiopyran is sourced from PubChem (CID 15130795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).