5,6-ditert-butyl-3,4-dihydro-2H-thiopyran

C13H24S — CID 159626610

IUPAC5,6-ditert-butyl-3,4-dihydro-2H-thiopyran
SMILESCC(C)(C)C1=C(C(C)(C)C)SCCC1
InChIInChI=1S/C13H24S/c1-12(2,3)10-8-7-9-14-11(10)13(4,5)6/h7-9H2,1-6H3
InChIKeyCIYMJHQOVREWKM-UHFFFAOYSA-N
MW212.40 g/mol
LogP4.86
Rot. Bonds

About 5,6-ditert-butyl-3,4-dihydro-2H-thiopyran

5,6-ditert-butyl-3,4-dihydro-2H-thiopyran (PubChem CID 159626610) has the molecular formula C13H24S and a molecular weight of 212.40 g/mol. Its IUPAC name is 5,6-ditert-butyl-3,4-dihydro-2H-thiopyran.

Molecular Properties

Compound Name5,6-ditert-butyl-3,4-dihydro-2H-thiopyran
PubChem CID159626610
Molecular FormulaC13H24S
Molecular Weight212.40 g/mol
Exact Mass212.16
IUPAC Name5,6-ditert-butyl-3,4-dihydro-2H-thiopyran
SMILESCC(C)(C)C1=C(C(C)(C)C)SCCC1
InChIInChI=1S/C13H24S/c1-12(2,3)10-8-7-9-14-11(10)13(4,5)6/h7-9H2,1-6H3
InChIKeyCIYMJHQOVREWKM-UHFFFAOYSA-N
XLogP4.86
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.40
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5,6-ditert-butyl-3,4-dihydro-2H-thiopyran?
The IUPAC name of 5,6-ditert-butyl-3,4-dihydro-2H-thiopyran (CID 159626610) is 5,6-ditert-butyl-3,4-dihydro-2H-thiopyran.
What is the SMILES notation for 5,6-ditert-butyl-3,4-dihydro-2H-thiopyran?
The canonical SMILES for 5,6-ditert-butyl-3,4-dihydro-2H-thiopyran is CC(C)(C)C1=C(C(C)(C)C)SCCC1.
What is the InChIKey of 5,6-ditert-butyl-3,4-dihydro-2H-thiopyran?
The InChIKey is CIYMJHQOVREWKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24S/c1-12(2,3)10-8-7-9-14-11(10)13(4,5)6/h7-9H2,1-6H3.
What are the key properties of 5,6-ditert-butyl-3,4-dihydro-2H-thiopyran?
5,6-ditert-butyl-3,4-dihydro-2H-thiopyran has a molecular weight of 212.40 g/mol, XLogP of 4.86, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-ditert-butyl-3,4-dihydro-2H-thiopyran is sourced from PubChem (CID 159626610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).