2-ethyl-6-[(6-ethyl-4H-thiopyran-2-yl)methyl]-4H-thiopyran

C15H20S2 — CID 20633399

IUPAC2-ethyl-6-[(6-ethyl-4H-thiopyran-2-yl)methyl]-4H-thiopyran
SMILESCCC1=CCC=C(CC2=CCC=C(CC)S2)S1
InChIInChI=1S/C15H20S2/c1-3-12-7-5-9-14(16-12)11-15-10-6-8-13(4-2)17-15/h7-10H,3-6,11H2,1-2H3
InChIKeyIFDKXLBJMRQADA-UHFFFAOYSA-N
MW264.46 g/mol
LogP6.01
Rot. Bonds4

About 2-ethyl-6-[(6-ethyl-4H-thiopyran-2-yl)methyl]-4H-thiopyran

2-ethyl-6-[(6-ethyl-4H-thiopyran-2-yl)methyl]-4H-thiopyran (PubChem CID 20633399) has the molecular formula C15H20S2 and a molecular weight of 264.46 g/mol. Its IUPAC name is 2-ethyl-6-[(6-ethyl-4H-thiopyran-2-yl)methyl]-4H-thiopyran.

Molecular Properties

Compound Name2-ethyl-6-[(6-ethyl-4H-thiopyran-2-yl)methyl]-4H-thiopyran
PubChem CID20633399
Molecular FormulaC15H20S2
Molecular Weight264.46 g/mol
Exact Mass264.10
IUPAC Name2-ethyl-6-[(6-ethyl-4H-thiopyran-2-yl)methyl]-4H-thiopyran
SMILESCCC1=CCC=C(CC2=CCC=C(CC)S2)S1
InChIInChI=1S/C15H20S2/c1-3-12-7-5-9-14(16-12)11-15-10-6-8-13(4-2)17-15/h7-10H,3-6,11H2,1-2H3
InChIKeyIFDKXLBJMRQADA-UHFFFAOYSA-N
XLogP6.01
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500264.46
LogP ≤ 56.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-6-[(6-ethyl-4H-thiopyran-2-yl)methyl]-4H-thiopyran?
The IUPAC name of 2-ethyl-6-[(6-ethyl-4H-thiopyran-2-yl)methyl]-4H-thiopyran (CID 20633399) is 2-ethyl-6-[(6-ethyl-4H-thiopyran-2-yl)methyl]-4H-thiopyran.
What is the SMILES notation for 2-ethyl-6-[(6-ethyl-4H-thiopyran-2-yl)methyl]-4H-thiopyran?
The canonical SMILES for 2-ethyl-6-[(6-ethyl-4H-thiopyran-2-yl)methyl]-4H-thiopyran is CCC1=CCC=C(CC2=CCC=C(CC)S2)S1.
What is the InChIKey of 2-ethyl-6-[(6-ethyl-4H-thiopyran-2-yl)methyl]-4H-thiopyran?
The InChIKey is IFDKXLBJMRQADA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20S2/c1-3-12-7-5-9-14(16-12)11-15-10-6-8-13(4-2)17-15/h7-10H,3-6,11H2,1-2H3.
What are the key properties of 2-ethyl-6-[(6-ethyl-4H-thiopyran-2-yl)methyl]-4H-thiopyran?
2-ethyl-6-[(6-ethyl-4H-thiopyran-2-yl)methyl]-4H-thiopyran has a molecular weight of 264.46 g/mol, XLogP of 6.01, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6-[(6-ethyl-4H-thiopyran-2-yl)methyl]-4H-thiopyran is sourced from PubChem (CID 20633399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).