2,4,6-trimethyl-4H-thiopyran

C8H12S — CID 23390602

IUPAC2,4,6-trimethyl-4H-thiopyran
SMILESCC1=CC(C)C=C(C)S1
InChIInChI=1S/C8H12S/c1-6-4-7(2)9-8(3)5-6/h4-6H,1-3H3
InChIKeyVLMHYNOUMKEJOL-UHFFFAOYSA-N
MW140.25 g/mol
LogP3.18
Rot. Bonds

About 2,4,6-trimethyl-4H-thiopyran

2,4,6-trimethyl-4H-thiopyran (PubChem CID 23390602) has the molecular formula C8H12S and a molecular weight of 140.25 g/mol. Its IUPAC name is 2,4,6-trimethyl-4H-thiopyran.

Molecular Properties

Compound Name2,4,6-trimethyl-4H-thiopyran
PubChem CID23390602
Molecular FormulaC8H12S
Molecular Weight140.25 g/mol
Exact Mass140.07
IUPAC Name2,4,6-trimethyl-4H-thiopyran
SMILESCC1=CC(C)C=C(C)S1
InChIInChI=1S/C8H12S/c1-6-4-7(2)9-8(3)5-6/h4-6H,1-3H3
InChIKeyVLMHYNOUMKEJOL-UHFFFAOYSA-N
XLogP3.18
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.25
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,4,6-trimethyl-4H-thiopyran?
The IUPAC name of 2,4,6-trimethyl-4H-thiopyran (CID 23390602) is 2,4,6-trimethyl-4H-thiopyran.
What is the SMILES notation for 2,4,6-trimethyl-4H-thiopyran?
The canonical SMILES for 2,4,6-trimethyl-4H-thiopyran is CC1=CC(C)C=C(C)S1.
What is the InChIKey of 2,4,6-trimethyl-4H-thiopyran?
The InChIKey is VLMHYNOUMKEJOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12S/c1-6-4-7(2)9-8(3)5-6/h4-6H,1-3H3.
What are the key properties of 2,4,6-trimethyl-4H-thiopyran?
2,4,6-trimethyl-4H-thiopyran has a molecular weight of 140.25 g/mol, XLogP of 3.18, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-trimethyl-4H-thiopyran is sourced from PubChem (CID 23390602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).