2,6-ditert-butyl-4-methoxy-2H-thiopyran

C14H24OS — CID 70551003

IUPAC2,6-ditert-butyl-4-methoxy-2H-thiopyran
SMILESCOC1=CC(C(C)(C)C)SC(C(C)(C)C)=C1
InChIInChI=1S/C14H24OS/c1-13(2,3)11-8-10(15-7)9-12(16-11)14(4,5)6/h8-9,11H,1-7H3
InChIKeyAMBYPMYOVRSJTL-UHFFFAOYSA-N
MW240.41 g/mol
LogP4.61
Rot. Bonds1

About 2,6-ditert-butyl-4-methoxy-2H-thiopyran

2,6-ditert-butyl-4-methoxy-2H-thiopyran (PubChem CID 70551003) has the molecular formula C14H24OS and a molecular weight of 240.41 g/mol. Its IUPAC name is 2,6-ditert-butyl-4-methoxy-2H-thiopyran.

Molecular Properties

Compound Name2,6-ditert-butyl-4-methoxy-2H-thiopyran
PubChem CID70551003
Molecular FormulaC14H24OS
Molecular Weight240.41 g/mol
Exact Mass240.15
IUPAC Name2,6-ditert-butyl-4-methoxy-2H-thiopyran
SMILESCOC1=CC(C(C)(C)C)SC(C(C)(C)C)=C1
InChIInChI=1S/C14H24OS/c1-13(2,3)11-8-10(15-7)9-12(16-11)14(4,5)6/h8-9,11H,1-7H3
InChIKeyAMBYPMYOVRSJTL-UHFFFAOYSA-N
XLogP4.61
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.41
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2,6-ditert-butyl-4-methoxy-2H-thiopyran with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,6-ditert-butyl-4-methoxy-2H-thiopyran?
The IUPAC name of 2,6-ditert-butyl-4-methoxy-2H-thiopyran (CID 70551003) is 2,6-ditert-butyl-4-methoxy-2H-thiopyran.
What is the SMILES notation for 2,6-ditert-butyl-4-methoxy-2H-thiopyran?
The canonical SMILES for 2,6-ditert-butyl-4-methoxy-2H-thiopyran is COC1=CC(C(C)(C)C)SC(C(C)(C)C)=C1.
What is the InChIKey of 2,6-ditert-butyl-4-methoxy-2H-thiopyran?
The InChIKey is AMBYPMYOVRSJTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24OS/c1-13(2,3)11-8-10(15-7)9-12(16-11)14(4,5)6/h8-9,11H,1-7H3.
What are the key properties of 2,6-ditert-butyl-4-methoxy-2H-thiopyran?
2,6-ditert-butyl-4-methoxy-2H-thiopyran has a molecular weight of 240.41 g/mol, XLogP of 4.61, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-ditert-butyl-4-methoxy-2H-thiopyran is sourced from PubChem (CID 70551003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).