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

C10H18S2 — CID 134919707

IUPAC3,4,5,6-tetramethyl-6-methylsulfanyl-2,5-dihydrothiopyran
SMILESCSC1(C)SCC(C)=C(C)C1C
InChIInChI=1S/C10H18S2/c1-7-6-12-10(4,11-5)9(3)8(7)2/h9H,6H2,1-5H3
InChIKeyQPWCQYSQKZICMS-UHFFFAOYSA-N
MW202.39 g/mol
LogP3.78
Rot. Bonds1

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

3,4,5,6-tetramethyl-6-methylsulfanyl-2,5-dihydrothiopyran (PubChem CID 134919707) has the molecular formula C10H18S2 and a molecular weight of 202.39 g/mol. Its IUPAC name is 3,4,5,6-tetramethyl-6-methylsulfanyl-2,5-dihydrothiopyran.

Molecular Properties

Compound Name3,4,5,6-tetramethyl-6-methylsulfanyl-2,5-dihydrothiopyran
PubChem CID134919707
Molecular FormulaC10H18S2
Molecular Weight202.39 g/mol
Exact Mass202.08
IUPAC Name3,4,5,6-tetramethyl-6-methylsulfanyl-2,5-dihydrothiopyran
SMILESCSC1(C)SCC(C)=C(C)C1C
InChIInChI=1S/C10H18S2/c1-7-6-12-10(4,11-5)9(3)8(7)2/h9H,6H2,1-5H3
InChIKeyQPWCQYSQKZICMS-UHFFFAOYSA-N
XLogP3.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.39
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3,4,6,6-Tetramethyl-2,5-dihydrothiopyran
CID 15697621
Methyl 3,4-dimethyl-6-methylsulfanyl-2,5-dihydrothiopyran-6-carbodithioate
CID 12459861
5-Isopropenyl-2-methyl-1,3-di(ethylthio)-cyclohex-1-ene
CID 129819438
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
2,3,4-Trimethyl-6-methylsulfanyl-6-propan-2-yl-2,5-dihydrothiopyran
CID 134988798
2-[(2,3,4,5-Tetramethylcyclopenta-2,4-dien-1-yl)methyl]-1,3-dithiane
CID 11780077
2-(2,6-Dimethylhept-5-en-1-yl)-1,3-dithiane
CID 15470850
2-(6-Methylhept-5-en-2-yl)-1,3-dithiane
CID 71359366
5,6-Bis(2-methylpropyl)-2,3-dihydro-1,4-dithiine
CID 13203361
2-Ethyl-5,6-bis(2-methylpropyl)-2,3-dihydro-1,4-dithiine
CID 20549605
2-Methyl-5,6-bis(2-methylpropyl)-2,3-dihydro-1,4-dithiine
CID 20549616

Frequently Asked Questions

What is the IUPAC name of 3,4,5,6-tetramethyl-6-methylsulfanyl-2,5-dihydrothiopyran?
The IUPAC name of 3,4,5,6-tetramethyl-6-methylsulfanyl-2,5-dihydrothiopyran (CID 134919707) is 3,4,5,6-tetramethyl-6-methylsulfanyl-2,5-dihydrothiopyran.
What is the SMILES notation for 3,4,5,6-tetramethyl-6-methylsulfanyl-2,5-dihydrothiopyran?
The canonical SMILES for 3,4,5,6-tetramethyl-6-methylsulfanyl-2,5-dihydrothiopyran is CSC1(C)SCC(C)=C(C)C1C.
What is the InChIKey of 3,4,5,6-tetramethyl-6-methylsulfanyl-2,5-dihydrothiopyran?
The InChIKey is QPWCQYSQKZICMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18S2/c1-7-6-12-10(4,11-5)9(3)8(7)2/h9H,6H2,1-5H3.
What are the key properties of 3,4,5,6-tetramethyl-6-methylsulfanyl-2,5-dihydrothiopyran?
3,4,5,6-tetramethyl-6-methylsulfanyl-2,5-dihydrothiopyran has a molecular weight of 202.39 g/mol, XLogP of 3.78, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5,6-tetramethyl-6-methylsulfanyl-2,5-dihydrothiopyran is sourced from PubChem (CID 134919707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).