3,4,6,6-tetramethyl-2,5-dihydrothiopyran

C9H16S — CID 15697621

IUPAC3,4,6,6-tetramethyl-2,5-dihydrothiopyran
SMILESCC1=C(C)CC(C)(C)SC1
InChIInChI=1S/C9H16S/c1-7-5-9(3,4)10-6-8(7)2/h5-6H2,1-4H3
InChIKeyJCXRCGMXGBJPCQ-UHFFFAOYSA-N
MW156.29 g/mol
LogP3.24
Rot. Bonds

About 3,4,6,6-tetramethyl-2,5-dihydrothiopyran

3,4,6,6-tetramethyl-2,5-dihydrothiopyran (PubChem CID 15697621) has the molecular formula C9H16S and a molecular weight of 156.29 g/mol. Its IUPAC name is 3,4,6,6-tetramethyl-2,5-dihydrothiopyran.

Molecular Properties

Compound Name3,4,6,6-tetramethyl-2,5-dihydrothiopyran
PubChem CID15697621
Molecular FormulaC9H16S
Molecular Weight156.29 g/mol
Exact Mass156.10
IUPAC Name3,4,6,6-tetramethyl-2,5-dihydrothiopyran
SMILESCC1=C(C)CC(C)(C)SC1
InChIInChI=1S/C9H16S/c1-7-5-9(3,4)10-6-8(7)2/h5-6H2,1-4H3
InChIKeyJCXRCGMXGBJPCQ-UHFFFAOYSA-N
XLogP3.24
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.29
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 3,4,6,6-tetramethyl-2,5-dihydrothiopyran 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

3,3,5,5-Tetramethyl-4-(2,2,4,4-tetramethylcyclobutylidene)thiane
CID 2751847
5-Methyl-4-propan-2-yl-2,3-dihydrothiophene
CID 13360337
4,5-Dimethyl-2-n-heptyl-3,6-dihydro-2h-thiapyran
CID 15130803
5,6-dimethyl-3,4-dihydro-2H-thiopyran
CID 15709713
Thiocyclohexane, 4-isopropylidene
CID 68355606
2H-Thiopyran, 3,6-dihydro-2,2,4-trimethyl-
CID 12282559
2,4,5-Trimethyl-3,6-dihydro-2H-thiopyran
CID 12792225
(E)-5-methyl-6-propylsulfanyldec-5-ene
CID 132579850
3,4,5,6-Tetramethyl-6-methylsulfanyl-2,5-dihydrothiopyran
CID 134919707
1-Butylsulfanylethylidenecyclohexane
CID 134932390
2,3,4,6-Tetramethyl-6-methylsulfanyl-2,5-dihydrothiopyran
CID 134988748
3,4,5-Trimethyl-6-methylsulfanyl-6-propan-2-yl-2,5-dihydrothiopyran
CID 134988752

Frequently Asked Questions

What is the IUPAC name of 3,4,6,6-tetramethyl-2,5-dihydrothiopyran?
The IUPAC name of 3,4,6,6-tetramethyl-2,5-dihydrothiopyran (CID 15697621) is 3,4,6,6-tetramethyl-2,5-dihydrothiopyran.
What is the SMILES notation for 3,4,6,6-tetramethyl-2,5-dihydrothiopyran?
The canonical SMILES for 3,4,6,6-tetramethyl-2,5-dihydrothiopyran is CC1=C(C)CC(C)(C)SC1.
What is the InChIKey of 3,4,6,6-tetramethyl-2,5-dihydrothiopyran?
The InChIKey is JCXRCGMXGBJPCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16S/c1-7-5-9(3,4)10-6-8(7)2/h5-6H2,1-4H3.
What are the key properties of 3,4,6,6-tetramethyl-2,5-dihydrothiopyran?
3,4,6,6-tetramethyl-2,5-dihydrothiopyran has a molecular weight of 156.29 g/mol, XLogP of 3.24, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,6,6-tetramethyl-2,5-dihydrothiopyran is sourced from PubChem (CID 15697621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).