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

C7H12S — CID 57100338

IUPAC5-ethyl-3,6-dihydro-2H-thiopyran
SMILESCCC1=CCCSC1
InChIInChI=1S/C7H12S/c1-2-7-4-3-5-8-6-7/h4H,2-3,5-6H2,1H3
InChIKeyIIVIWTNOJUGILD-UHFFFAOYSA-N
MW128.24 g/mol
LogP2.46
Rot. Bonds1

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

5-ethyl-3,6-dihydro-2H-thiopyran (PubChem CID 57100338) has the molecular formula C7H12S and a molecular weight of 128.24 g/mol. Its IUPAC name is 5-ethyl-3,6-dihydro-2H-thiopyran.

Molecular Properties

Compound Name5-ethyl-3,6-dihydro-2H-thiopyran
PubChem CID57100338
Molecular FormulaC7H12S
Molecular Weight128.24 g/mol
Exact Mass128.07
IUPAC Name5-ethyl-3,6-dihydro-2H-thiopyran
SMILESCCC1=CCCSC1
InChIInChI=1S/C7H12S/c1-2-7-4-3-5-8-6-7/h4H,2-3,5-6H2,1H3
InChIKeyIIVIWTNOJUGILD-UHFFFAOYSA-N
XLogP2.46
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.24
LogP ≤ 52.46
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-ethyl-3,6-dihydro-2H-thiopyran?
The IUPAC name of 5-ethyl-3,6-dihydro-2H-thiopyran (CID 57100338) is 5-ethyl-3,6-dihydro-2H-thiopyran.
What is the SMILES notation for 5-ethyl-3,6-dihydro-2H-thiopyran?
The canonical SMILES for 5-ethyl-3,6-dihydro-2H-thiopyran is CCC1=CCCSC1.
What is the InChIKey of 5-ethyl-3,6-dihydro-2H-thiopyran?
The InChIKey is IIVIWTNOJUGILD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12S/c1-2-7-4-3-5-8-6-7/h4H,2-3,5-6H2,1H3.
What are the key properties of 5-ethyl-3,6-dihydro-2H-thiopyran?
5-ethyl-3,6-dihydro-2H-thiopyran has a molecular weight of 128.24 g/mol, XLogP of 2.46, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-3,6-dihydro-2H-thiopyran is sourced from PubChem (CID 57100338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).