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

C9H14S — CID 18339221

IUPAC3,4,5,6-tetramethyl-2H-thiopyran
SMILESCC1=C(C)C(C)=C(C)SC1
InChIInChI=1S/C9H14S/c1-6-5-10-9(4)8(3)7(6)2/h5H2,1-4H3
InChIKeyCPMKAMBGSPAVTQ-UHFFFAOYSA-N
MW154.28 g/mol
LogP3.36
Rot. Bonds

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

3,4,5,6-tetramethyl-2H-thiopyran (PubChem CID 18339221) has the molecular formula C9H14S and a molecular weight of 154.28 g/mol. Its IUPAC name is 3,4,5,6-tetramethyl-2H-thiopyran.

Molecular Properties

Compound Name3,4,5,6-tetramethyl-2H-thiopyran
PubChem CID18339221
Molecular FormulaC9H14S
Molecular Weight154.28 g/mol
Exact Mass154.08
IUPAC Name3,4,5,6-tetramethyl-2H-thiopyran
SMILESCC1=C(C)C(C)=C(C)SC1
InChIInChI=1S/C9H14S/c1-6-5-10-9(4)8(3)7(6)2/h5H2,1-4H3
InChIKeyCPMKAMBGSPAVTQ-UHFFFAOYSA-N
XLogP3.36
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.28
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,4,5,6-tetramethyl-2H-thiopyran?
The IUPAC name of 3,4,5,6-tetramethyl-2H-thiopyran (CID 18339221) is 3,4,5,6-tetramethyl-2H-thiopyran.
What is the SMILES notation for 3,4,5,6-tetramethyl-2H-thiopyran?
The canonical SMILES for 3,4,5,6-tetramethyl-2H-thiopyran is CC1=C(C)C(C)=C(C)SC1.
What is the InChIKey of 3,4,5,6-tetramethyl-2H-thiopyran?
The InChIKey is CPMKAMBGSPAVTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14S/c1-6-5-10-9(4)8(3)7(6)2/h5H2,1-4H3.
What are the key properties of 3,4,5,6-tetramethyl-2H-thiopyran?
3,4,5,6-tetramethyl-2H-thiopyran has a molecular weight of 154.28 g/mol, XLogP of 3.36, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5,6-tetramethyl-2H-thiopyran is sourced from PubChem (CID 18339221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).