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

C9H16S — CID 18339223

IUPAC3,3,5,6-tetramethyl-2,4-dihydrothiopyran
SMILESCC1=C(C)SCC(C)(C)C1
InChIInChI=1S/C9H16S/c1-7-5-9(3,4)6-10-8(7)2/h5-6H2,1-4H3
InChIKeyMZNHHEHGRHDTSW-UHFFFAOYSA-N
MW156.29 g/mol
LogP3.44
Rot. Bonds

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

3,3,5,6-tetramethyl-2,4-dihydrothiopyran (PubChem CID 18339223) has the molecular formula C9H16S and a molecular weight of 156.29 g/mol. Its IUPAC name is 3,3,5,6-tetramethyl-2,4-dihydrothiopyran.

Molecular Properties

Compound Name3,3,5,6-tetramethyl-2,4-dihydrothiopyran
PubChem CID18339223
Molecular FormulaC9H16S
Molecular Weight156.29 g/mol
Exact Mass156.10
IUPAC Name3,3,5,6-tetramethyl-2,4-dihydrothiopyran
SMILESCC1=C(C)SCC(C)(C)C1
InChIInChI=1S/C9H16S/c1-7-5-9(3,4)6-10-8(7)2/h5-6H2,1-4H3
InChIKeyMZNHHEHGRHDTSW-UHFFFAOYSA-N
XLogP3.44
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 ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3,3,5,5-Tetramethyl-4-(2,2,4,4-tetramethylcyclobutylidene)thiane
CID 2751847
3,4,6,6-Tetramethyl-2,5-dihydrothiopyran
CID 15697621
2,4,5-Trimethyl-3,6-dihydro-2H-thiopyran
CID 12792225
(5S)-1,3,5-trimethyl-6-methylidene-5-(methylsulfanylmethyl)cyclohexa-1,3-diene
CID 15363517
1,3,5-Trimethyl-6-methylidene-5-[(methylsulfanyl)methyl]cyclohexa-1,3-diene
CID 71357380
2,3,4-Trimethyl-6-methylsulfanyl-6-propan-2-yl-2,5-dihydrothiopyran
CID 134988798
(E)-1-(3,3-dimethylbutan-2-ylsulfanyl)-6,6-dimethylhept-2-ene
CID 20765243
3,4,6,6-Tetramethyl-2,5-dihydrothiopyran 1-oxide
CID 22943739
2,3,3-Trimethyl-1-(3-methylsulfanylbutyl)cyclohexene
CID 57119932
4,5-Ditert-butyl-2,3-dihydrothiophene
CID 57531853
5,6-di(propan-2-yl)-3,4-dihydro-2H-thiopyran
CID 57632410
4-tert-butyl-3,6-dihydro-2H-thiopyran
CID 58166876

Frequently Asked Questions

What is the IUPAC name of 3,3,5,6-tetramethyl-2,4-dihydrothiopyran?
The IUPAC name of 3,3,5,6-tetramethyl-2,4-dihydrothiopyran (CID 18339223) is 3,3,5,6-tetramethyl-2,4-dihydrothiopyran.
What is the SMILES notation for 3,3,5,6-tetramethyl-2,4-dihydrothiopyran?
The canonical SMILES for 3,3,5,6-tetramethyl-2,4-dihydrothiopyran is CC1=C(C)SCC(C)(C)C1.
What is the InChIKey of 3,3,5,6-tetramethyl-2,4-dihydrothiopyran?
The InChIKey is MZNHHEHGRHDTSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16S/c1-7-5-9(3,4)6-10-8(7)2/h5-6H2,1-4H3.
What are the key properties of 3,3,5,6-tetramethyl-2,4-dihydrothiopyran?
3,3,5,6-tetramethyl-2,4-dihydrothiopyran has a molecular weight of 156.29 g/mol, XLogP of 3.44, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,5,6-tetramethyl-2,4-dihydrothiopyran is sourced from PubChem (CID 18339223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).