2,3,4,5,6-pentamethyl-4H-thiopyran

C10H16S — CID 59945013

IUPAC2,3,4,5,6-pentamethyl-4H-thiopyran
SMILESCC1=C(C)C(C)C(C)=C(C)S1
InChIInChI=1S/C10H16S/c1-6-7(2)9(4)11-10(5)8(6)3/h6H,1-5H3
InChIKeyDXFKXLHHCPQJEJ-UHFFFAOYSA-N
MW168.30 g/mol
LogP3.96
Rot. Bonds

About 2,3,4,5,6-pentamethyl-4H-thiopyran

2,3,4,5,6-pentamethyl-4H-thiopyran (PubChem CID 59945013) has the molecular formula C10H16S and a molecular weight of 168.30 g/mol. Its IUPAC name is 2,3,4,5,6-pentamethyl-4H-thiopyran.

Molecular Properties

Compound Name2,3,4,5,6-pentamethyl-4H-thiopyran
PubChem CID59945013
Molecular FormulaC10H16S
Molecular Weight168.30 g/mol
Exact Mass168.10
IUPAC Name2,3,4,5,6-pentamethyl-4H-thiopyran
SMILESCC1=C(C)C(C)C(C)=C(C)S1
InChIInChI=1S/C10H16S/c1-6-7(2)9(4)11-10(5)8(6)3/h6H,1-5H3
InChIKeyDXFKXLHHCPQJEJ-UHFFFAOYSA-N
XLogP3.96
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.30
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,3,4,5,6-pentamethyl-4H-thiopyran?
The IUPAC name of 2,3,4,5,6-pentamethyl-4H-thiopyran (CID 59945013) is 2,3,4,5,6-pentamethyl-4H-thiopyran.
What is the SMILES notation for 2,3,4,5,6-pentamethyl-4H-thiopyran?
The canonical SMILES for 2,3,4,5,6-pentamethyl-4H-thiopyran is CC1=C(C)C(C)C(C)=C(C)S1.
What is the InChIKey of 2,3,4,5,6-pentamethyl-4H-thiopyran?
The InChIKey is DXFKXLHHCPQJEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16S/c1-6-7(2)9(4)11-10(5)8(6)3/h6H,1-5H3.
What are the key properties of 2,3,4,5,6-pentamethyl-4H-thiopyran?
2,3,4,5,6-pentamethyl-4H-thiopyran has a molecular weight of 168.30 g/mol, XLogP of 3.96, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,5,6-pentamethyl-4H-thiopyran is sourced from PubChem (CID 59945013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).