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

C10H18S2 — CID 134988748

IUPAC2,3,4,6-tetramethyl-6-methylsulfanyl-2,5-dihydrothiopyran
SMILESCSC1(C)CC(C)=C(C)C(C)S1
InChIInChI=1S/C10H18S2/c1-7-6-10(4,11-5)12-9(3)8(7)2/h9H,6H2,1-5H3
InChIKeyOSSDMXDCWBKOAB-UHFFFAOYSA-N
MW202.39 g/mol
LogP3.93
Rot. Bonds1

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

2,3,4,6-tetramethyl-6-methylsulfanyl-2,5-dihydrothiopyran (PubChem CID 134988748) has the molecular formula C10H18S2 and a molecular weight of 202.39 g/mol. Its IUPAC name is 2,3,4,6-tetramethyl-6-methylsulfanyl-2,5-dihydrothiopyran.

Molecular Properties

Compound Name2,3,4,6-tetramethyl-6-methylsulfanyl-2,5-dihydrothiopyran
PubChem CID134988748
Molecular FormulaC10H18S2
Molecular Weight202.39 g/mol
Exact Mass202.08
IUPAC Name2,3,4,6-tetramethyl-6-methylsulfanyl-2,5-dihydrothiopyran
SMILESCSC1(C)CC(C)=C(C)C(C)S1
InChIInChI=1S/C10H18S2/c1-7-6-10(4,11-5)12-9(3)8(7)2/h9H,6H2,1-5H3
InChIKeyOSSDMXDCWBKOAB-UHFFFAOYSA-N
XLogP3.93
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 ≤ 53.93
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

2-(Ethylthio)-2-(trifluoromethyl)-4,5-dimethyl-3,6-dihydro-2H-thiopyran
CID 15312185
2-(4-Methylpent-3-enyl)-1,3-dithiane
CID 15059664
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
3,4,6,6-Tetramethyl-2,5-dihydrothiopyran
CID 15697621
4-Ethylsulfanyl-3-methyl-4-methylsulfanylhexa-1,2-diene
CID 12384786
Methyl 3,4-dimethyl-6-methylsulfanyl-2,5-dihydrothiopyran-6-carbodithioate
CID 12459861
3,6-Dimethyl-6-methylsulfanyl-2,5-dihydrothiopyran
CID 12669527
2,4,5-Trimethyl-3,6-dihydro-2H-thiopyran
CID 12792225
3-Methyl-2-propyl-6-butyl-1,4-dithiacyclohexa-2,5-diene
CID 14270400
2-Methyl-2-(4-methylpent-3-enyl)-1,3-dithiane
CID 21772660

Frequently Asked Questions

What is the IUPAC name of 2,3,4,6-tetramethyl-6-methylsulfanyl-2,5-dihydrothiopyran?
The IUPAC name of 2,3,4,6-tetramethyl-6-methylsulfanyl-2,5-dihydrothiopyran (CID 134988748) is 2,3,4,6-tetramethyl-6-methylsulfanyl-2,5-dihydrothiopyran.
What is the SMILES notation for 2,3,4,6-tetramethyl-6-methylsulfanyl-2,5-dihydrothiopyran?
The canonical SMILES for 2,3,4,6-tetramethyl-6-methylsulfanyl-2,5-dihydrothiopyran is CSC1(C)CC(C)=C(C)C(C)S1.
What is the InChIKey of 2,3,4,6-tetramethyl-6-methylsulfanyl-2,5-dihydrothiopyran?
The InChIKey is OSSDMXDCWBKOAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18S2/c1-7-6-10(4,11-5)12-9(3)8(7)2/h9H,6H2,1-5H3.
What are the key properties of 2,3,4,6-tetramethyl-6-methylsulfanyl-2,5-dihydrothiopyran?
2,3,4,6-tetramethyl-6-methylsulfanyl-2,5-dihydrothiopyran has a molecular weight of 202.39 g/mol, XLogP of 3.93, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,6-tetramethyl-6-methylsulfanyl-2,5-dihydrothiopyran is sourced from PubChem (CID 134988748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).