2-ethylsulfanyl-6-methyl-5-(4-methylphenyl)sulfinyl-3,4-dihydro-2H-pyran

C15H20O2S2 — CID 134932017

IUPAC2-ethylsulfanyl-6-methyl-5-(4-methylphenyl)sulfinyl-3,4-dihydro-2H-pyran
SMILESCCSC1CCC(S(=O)c2ccc(C)cc2)=C(C)O1
InChIInChI=1S/C15H20O2S2/c1-4-18-15-10-9-14(12(3)17-15)19(16)13-7-5-11(2)6-8-13/h5-8,15H,4,9-10H2,1-3H3
InChIKeyLDFTUZMPLYSUEL-UHFFFAOYSA-N
MW296.46 g/mol
LogP4.22
Rot. Bonds4

About 2-ethylsulfanyl-6-methyl-5-(4-methylphenyl)sulfinyl-3,4-dihydro-2H-pyran

2-ethylsulfanyl-6-methyl-5-(4-methylphenyl)sulfinyl-3,4-dihydro-2H-pyran (PubChem CID 134932017) has the molecular formula C15H20O2S2 and a molecular weight of 296.46 g/mol. Its IUPAC name is 2-ethylsulfanyl-6-methyl-5-(4-methylphenyl)sulfinyl-3,4-dihydro-2H-pyran.

Molecular Properties

Compound Name2-ethylsulfanyl-6-methyl-5-(4-methylphenyl)sulfinyl-3,4-dihydro-2H-pyran
PubChem CID134932017
Molecular FormulaC15H20O2S2
Molecular Weight296.46 g/mol
Exact Mass296.09
IUPAC Name2-ethylsulfanyl-6-methyl-5-(4-methylphenyl)sulfinyl-3,4-dihydro-2H-pyran
SMILESCCSC1CCC(S(=O)c2ccc(C)cc2)=C(C)O1
InChIInChI=1S/C15H20O2S2/c1-4-18-15-10-9-14(12(3)17-15)19(16)13-7-5-11(2)6-8-13/h5-8,15H,4,9-10H2,1-3H3
InChIKeyLDFTUZMPLYSUEL-UHFFFAOYSA-N
XLogP4.22
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.46
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

O-ethyl 2-(4-phenylphenyl)sulfonylethanethioate
CID 25215941
(4-Methylphenyl){3-[(4-methylphenyl)sulfinyl]propyl}oxo-lambda~4~-sulfane
CID 1483197
Sulfonium, dimethyl((tetrahydro-2-furanyl)methyl)-, 4-methylbenzenesulfonate (1:1)
CID 3062268
Sulfonium, butylmethyl((tetrahydro-2-furanyl)methyl)-, salt with 4-methylbenzenesulfonic acid (1:1)
CID 3062270
Sulfonium, dimethyl((tetrahydro-2H-pyran-2-yl)methyl)-, salt with 4-methylbenzenesulfonic acid (1:1)
CID 3062276
Sulfonium, dimethyl(2-(tetrahydro-2H-pyran-2-yl)ethyl)-, salt with 4-methylbenzenesulfonic acid (1:1)
CID 3062278
Dimethyl-2-(tetrahydro-2-furanyl)ethylsulfonium
CID 24846345
(3-(Methylsulfonyl)propyl 4-methylbenzenesulfonate
CID 22732325
1-Methyl-2-(2-propan-2-yloxyethylsulfonyl)benzene
CID 71981822
tert-butyl 2-[(R)-(4-methylphenyl)sulfinyl]acetate
CID 10999613
t-butyl [(S)-p-tolylsulfinyl]acetate
CID 11118618
[(Z)-1-(benzenesulfonyl)-2-methoxyethenyl]benzene
CID 12555308

Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfanyl-6-methyl-5-(4-methylphenyl)sulfinyl-3,4-dihydro-2H-pyran?
The IUPAC name of 2-ethylsulfanyl-6-methyl-5-(4-methylphenyl)sulfinyl-3,4-dihydro-2H-pyran (CID 134932017) is 2-ethylsulfanyl-6-methyl-5-(4-methylphenyl)sulfinyl-3,4-dihydro-2H-pyran.
What is the SMILES notation for 2-ethylsulfanyl-6-methyl-5-(4-methylphenyl)sulfinyl-3,4-dihydro-2H-pyran?
The canonical SMILES for 2-ethylsulfanyl-6-methyl-5-(4-methylphenyl)sulfinyl-3,4-dihydro-2H-pyran is CCSC1CCC(S(=O)c2ccc(C)cc2)=C(C)O1.
What is the InChIKey of 2-ethylsulfanyl-6-methyl-5-(4-methylphenyl)sulfinyl-3,4-dihydro-2H-pyran?
The InChIKey is LDFTUZMPLYSUEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O2S2/c1-4-18-15-10-9-14(12(3)17-15)19(16)13-7-5-11(2)6-8-13/h5-8,15H,4,9-10H2,1-3H3.
What are the key properties of 2-ethylsulfanyl-6-methyl-5-(4-methylphenyl)sulfinyl-3,4-dihydro-2H-pyran?
2-ethylsulfanyl-6-methyl-5-(4-methylphenyl)sulfinyl-3,4-dihydro-2H-pyran has a molecular weight of 296.46 g/mol, XLogP of 4.22, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfanyl-6-methyl-5-(4-methylphenyl)sulfinyl-3,4-dihydro-2H-pyran is sourced from PubChem (CID 134932017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).