6-ethylsulfanyl-3,4-dimethyl-6-(trifluoromethyl)-2,5-dihydrothiopyran

C10H15F3S2 — CID 15312185

IUPAC6-ethylsulfanyl-3,4-dimethyl-6-(trifluoromethyl)-2,5-dihydrothiopyran
SMILESCCSC1(C(F)(F)F)CC(C)=C(C)CS1
InChIInChI=1S/C10H15F3S2/c1-4-14-9(10(11,12)13)5-7(2)8(3)6-15-9/h4-6H2,1-3H3
InChIKeyQAHYGHOJJYIPAF-UHFFFAOYSA-N
MW256.36 g/mol
LogP4.47
Rot. Bonds2

About 6-ethylsulfanyl-3,4-dimethyl-6-(trifluoromethyl)-2,5-dihydrothiopyran

6-ethylsulfanyl-3,4-dimethyl-6-(trifluoromethyl)-2,5-dihydrothiopyran (PubChem CID 15312185) has the molecular formula C10H15F3S2 and a molecular weight of 256.36 g/mol. Its IUPAC name is 6-ethylsulfanyl-3,4-dimethyl-6-(trifluoromethyl)-2,5-dihydrothiopyran.

Molecular Properties

Compound Name6-ethylsulfanyl-3,4-dimethyl-6-(trifluoromethyl)-2,5-dihydrothiopyran
PubChem CID15312185
Molecular FormulaC10H15F3S2
Molecular Weight256.36 g/mol
Exact Mass256.06
IUPAC Name6-ethylsulfanyl-3,4-dimethyl-6-(trifluoromethyl)-2,5-dihydrothiopyran
SMILESCCSC1(C(F)(F)F)CC(C)=C(C)CS1
InChIInChI=1S/C10H15F3S2/c1-4-14-9(10(11,12)13)5-7(2)8(3)6-15-9/h4-6H2,1-3H3
InChIKeyQAHYGHOJJYIPAF-UHFFFAOYSA-N
XLogP4.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.36
LogP ≤ 54.47
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

6-[(E)-2-bromo-1,3,3,3-tetrafluoroprop-1-enyl]-6-ethylsulfanyl-3,4-dimethyl-2,5-dihydrothiopyran
CID 12031645
6-Fluoro-3,4-dimethyl-6-(trifluoromethyl)-2,5-dihydrothiopyran
CID 85975912
2,2,3,3,4,4-Hexafluoro-7,8-dimethyl-1,10-dithiaspiro[4.5]dec-7-ene
CID 86007747
6-Ethylsulfanyl-6-(1,1,2,2,3,3,3-heptafluoropropyl)-3,4-dimethyl-2,5-dihydrothiopyran
CID 102330988
6-[(Z)-2-chloro-1,3,3,3-tetrafluoroprop-1-enyl]-6-ethylsulfanyl-3,4-dimethyl-2,5-dihydrothiopyran
CID 134932404
6-[(Z)-2-bromo-1,3,3,3-tetrafluoroprop-1-enyl]-6-ethylsulfanyl-3,4-dimethyl-2,5-dihydrothiopyran
CID 134933171
4,5-Dimethyl-2-(trifluoromethyl)-3,6-dihydro-2H-thiopyran
CID 24978403
2-Ethyl-4-methyl-5-(trifluoromethyl)-2,3-dihydrothiophene
CID 117849093
3,4-Dimethyl-6,6-bis(trifluoromethyl)-2,5-dihydrothiopyran
CID 154316299
2-(Difluoromethyl)-1,3-dimethyl-4-(2,2,2-trifluoroethylsulfanyl)cyclohexa-1,3-diene
CID 173040662
2,3,4,6-Tetramethyl-6-methylsulfanyl-2,5-dihydrothiopyran
CID 134988748
4-Fluoro-7,8-dimethyl-3-(trifluoromethyl)-1,2,10-trithiaspiro[4.5]deca-3,7-diene
CID 12015587

Frequently Asked Questions

What is the IUPAC name of 6-ethylsulfanyl-3,4-dimethyl-6-(trifluoromethyl)-2,5-dihydrothiopyran?
The IUPAC name of 6-ethylsulfanyl-3,4-dimethyl-6-(trifluoromethyl)-2,5-dihydrothiopyran (CID 15312185) is 6-ethylsulfanyl-3,4-dimethyl-6-(trifluoromethyl)-2,5-dihydrothiopyran.
What is the SMILES notation for 6-ethylsulfanyl-3,4-dimethyl-6-(trifluoromethyl)-2,5-dihydrothiopyran?
The canonical SMILES for 6-ethylsulfanyl-3,4-dimethyl-6-(trifluoromethyl)-2,5-dihydrothiopyran is CCSC1(C(F)(F)F)CC(C)=C(C)CS1.
What is the InChIKey of 6-ethylsulfanyl-3,4-dimethyl-6-(trifluoromethyl)-2,5-dihydrothiopyran?
The InChIKey is QAHYGHOJJYIPAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3S2/c1-4-14-9(10(11,12)13)5-7(2)8(3)6-15-9/h4-6H2,1-3H3.
What are the key properties of 6-ethylsulfanyl-3,4-dimethyl-6-(trifluoromethyl)-2,5-dihydrothiopyran?
6-ethylsulfanyl-3,4-dimethyl-6-(trifluoromethyl)-2,5-dihydrothiopyran has a molecular weight of 256.36 g/mol, XLogP of 4.47, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethylsulfanyl-3,4-dimethyl-6-(trifluoromethyl)-2,5-dihydrothiopyran is sourced from PubChem (CID 15312185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).