5-(1-ethylsulfanylethyl)-3,6-dihydro-2H-pyran

C9H16OS — CID 130224435

IUPAC5-(1-ethylsulfanylethyl)-3,6-dihydro-2H-pyran
SMILESCCSC(C)C1=CCCOC1
InChIInChI=1S/C9H16OS/c1-3-11-8(2)9-5-4-6-10-7-9/h5,8H,3-4,6-7H2,1-2H3
InChIKeyOFZZORCGTZYFEO-UHFFFAOYSA-N
MW172.29 g/mol
LogP2.47
Rot. Bonds3

About 5-(1-ethylsulfanylethyl)-3,6-dihydro-2H-pyran

5-(1-ethylsulfanylethyl)-3,6-dihydro-2H-pyran (PubChem CID 130224435) has the molecular formula C9H16OS and a molecular weight of 172.29 g/mol. Its IUPAC name is 5-(1-ethylsulfanylethyl)-3,6-dihydro-2H-pyran.

Molecular Properties

Compound Name5-(1-ethylsulfanylethyl)-3,6-dihydro-2H-pyran
PubChem CID130224435
Molecular FormulaC9H16OS
Molecular Weight172.29 g/mol
Exact Mass172.09
IUPAC Name5-(1-ethylsulfanylethyl)-3,6-dihydro-2H-pyran
SMILESCCSC(C)C1=CCCOC1
InChIInChI=1S/C9H16OS/c1-3-11-8(2)9-5-4-6-10-7-9/h5,8H,3-4,6-7H2,1-2H3
InChIKeyOFZZORCGTZYFEO-UHFFFAOYSA-N
XLogP2.47
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.29
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-(1-ethylsulfanylethyl)-3,6-dihydro-2H-pyran?
The IUPAC name of 5-(1-ethylsulfanylethyl)-3,6-dihydro-2H-pyran (CID 130224435) is 5-(1-ethylsulfanylethyl)-3,6-dihydro-2H-pyran.
What is the SMILES notation for 5-(1-ethylsulfanylethyl)-3,6-dihydro-2H-pyran?
The canonical SMILES for 5-(1-ethylsulfanylethyl)-3,6-dihydro-2H-pyran is CCSC(C)C1=CCCOC1.
What is the InChIKey of 5-(1-ethylsulfanylethyl)-3,6-dihydro-2H-pyran?
The InChIKey is OFZZORCGTZYFEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16OS/c1-3-11-8(2)9-5-4-6-10-7-9/h5,8H,3-4,6-7H2,1-2H3.
What are the key properties of 5-(1-ethylsulfanylethyl)-3,6-dihydro-2H-pyran?
5-(1-ethylsulfanylethyl)-3,6-dihydro-2H-pyran has a molecular weight of 172.29 g/mol, XLogP of 2.47, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-ethylsulfanylethyl)-3,6-dihydro-2H-pyran is sourced from PubChem (CID 130224435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).