5-ethyl-6-methyl-3,4-dihydro-2H-thiopyran

C8H14S — CID 89338393

IUPAC5-ethyl-6-methyl-3,4-dihydro-2H-thiopyran
SMILESCCC1=C(C)SCCC1
InChIInChI=1S/C8H14S/c1-3-8-5-4-6-9-7(8)2/h3-6H2,1-2H3
InChIKeyBDLUGQQNOJNXNE-UHFFFAOYSA-N
MW142.27 g/mol
LogP3.20
Rot. Bonds1

About 5-ethyl-6-methyl-3,4-dihydro-2H-thiopyran

5-ethyl-6-methyl-3,4-dihydro-2H-thiopyran (PubChem CID 89338393) has the molecular formula C8H14S and a molecular weight of 142.27 g/mol. Its IUPAC name is 5-ethyl-6-methyl-3,4-dihydro-2H-thiopyran.

Molecular Properties

Compound Name5-ethyl-6-methyl-3,4-dihydro-2H-thiopyran
PubChem CID89338393
Molecular FormulaC8H14S
Molecular Weight142.27 g/mol
Exact Mass142.08
IUPAC Name5-ethyl-6-methyl-3,4-dihydro-2H-thiopyran
SMILESCCC1=C(C)SCCC1
InChIInChI=1S/C8H14S/c1-3-8-5-4-6-9-7(8)2/h3-6H2,1-2H3
InChIKeyBDLUGQQNOJNXNE-UHFFFAOYSA-N
XLogP3.20
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
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 5-ethyl-6-methyl-3,4-dihydro-2H-thiopyran?
The IUPAC name of 5-ethyl-6-methyl-3,4-dihydro-2H-thiopyran (CID 89338393) is 5-ethyl-6-methyl-3,4-dihydro-2H-thiopyran.
What is the SMILES notation for 5-ethyl-6-methyl-3,4-dihydro-2H-thiopyran?
The canonical SMILES for 5-ethyl-6-methyl-3,4-dihydro-2H-thiopyran is CCC1=C(C)SCCC1.
What is the InChIKey of 5-ethyl-6-methyl-3,4-dihydro-2H-thiopyran?
The InChIKey is BDLUGQQNOJNXNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14S/c1-3-8-5-4-6-9-7(8)2/h3-6H2,1-2H3.
What are the key properties of 5-ethyl-6-methyl-3,4-dihydro-2H-thiopyran?
5-ethyl-6-methyl-3,4-dihydro-2H-thiopyran has a molecular weight of 142.27 g/mol, XLogP of 3.20, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-6-methyl-3,4-dihydro-2H-thiopyran is sourced from PubChem (CID 89338393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).