6-tert-butyl-2,4-dimethyl-2H-thiopyran

C11H18S — CID 121218619

IUPAC6-tert-butyl-2,4-dimethyl-2H-thiopyran
SMILESCC1=CC(C)SC(C(C)(C)C)=C1
InChIInChI=1S/C11H18S/c1-8-6-9(2)12-10(7-8)11(3,4)5/h6-7,9H,1-5H3
InChIKeyWQGSVSOVEQFSDC-UHFFFAOYSA-N
MW182.33 g/mol
LogP4.00
Rot. Bonds

About 6-tert-butyl-2,4-dimethyl-2H-thiopyran

6-tert-butyl-2,4-dimethyl-2H-thiopyran (PubChem CID 121218619) has the molecular formula C11H18S and a molecular weight of 182.33 g/mol. Its IUPAC name is 6-tert-butyl-2,4-dimethyl-2H-thiopyran.

Molecular Properties

Compound Name6-tert-butyl-2,4-dimethyl-2H-thiopyran
PubChem CID121218619
Molecular FormulaC11H18S
Molecular Weight182.33 g/mol
Exact Mass182.11
IUPAC Name6-tert-butyl-2,4-dimethyl-2H-thiopyran
SMILESCC1=CC(C)SC(C(C)(C)C)=C1
InChIInChI=1S/C11H18S/c1-8-6-9(2)12-10(7-8)11(3,4)5/h6-7,9H,1-5H3
InChIKeyWQGSVSOVEQFSDC-UHFFFAOYSA-N
XLogP4.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.33
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 6-tert-butyl-2,4-dimethyl-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

Related Compounds

4-methyl-3,6-dihydro-2H-thiopyran
CID 12282558
2,6-ditert-butyl-2H-thiopyran
CID 12513623
1-(1-Pentylsulfanylethenyl)cyclohexene
CID 46909681
dimethyl-2H-thiopyran
CID 129890696
7-Fluoro-7-methyl-2-(propan-2-ylsulfanylmethyl)cyclohepta-1,3,5-triene
CID 70967274
5-(4-Fluorocyclohexa-1,3-dien-1-yl)sulfanyl-1,3-dimethylcyclohexa-1,3-diene
CID 167148407
3-[(1E,3Z)-1-fluoropenta-1,3-dienyl]-2,5,8,9-tetrahydro-1-benzothiepine
CID 170063910
5-methyl-3,6-dihydro-2H-thiopyran
CID 640542
7-Tert-butyl-4-methyl-2,3-dihydrothiepine
CID 12791672
Lithium ethylsulfanylmethylbenzene
CID 14939640
(5S)-1,3,5-trimethyl-6-methylidene-5-(methylsulfanylmethyl)cyclohexa-1,3-diene
CID 15363517
(E)-4-tert-butylsulfanyl-3-methylpent-2-ene
CID 17759101

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-2,4-dimethyl-2H-thiopyran?
The IUPAC name of 6-tert-butyl-2,4-dimethyl-2H-thiopyran (CID 121218619) is 6-tert-butyl-2,4-dimethyl-2H-thiopyran.
What is the SMILES notation for 6-tert-butyl-2,4-dimethyl-2H-thiopyran?
The canonical SMILES for 6-tert-butyl-2,4-dimethyl-2H-thiopyran is CC1=CC(C)SC(C(C)(C)C)=C1.
What is the InChIKey of 6-tert-butyl-2,4-dimethyl-2H-thiopyran?
The InChIKey is WQGSVSOVEQFSDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18S/c1-8-6-9(2)12-10(7-8)11(3,4)5/h6-7,9H,1-5H3.
What are the key properties of 6-tert-butyl-2,4-dimethyl-2H-thiopyran?
6-tert-butyl-2,4-dimethyl-2H-thiopyran has a molecular weight of 182.33 g/mol, XLogP of 4.00, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-2,4-dimethyl-2H-thiopyran is sourced from PubChem (CID 121218619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).