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

C19H20O2S2 — CID 134932018

IUPAC6-methyl-5-(4-methylphenyl)sulfinyl-2-phenylsulfanyl-3,4-dihydro-2H-pyran
SMILESCC1=C(S(=O)c2ccc(C)cc2)CCC(Sc2ccccc2)O1
InChIInChI=1S/C19H20O2S2/c1-14-8-10-17(11-9-14)23(20)18-12-13-19(21-15(18)2)22-16-6-4-3-5-7-16/h3-11,19H,12-13H2,1-2H3
InChIKeyBJEGNIICPZFXOI-UHFFFAOYSA-N
MW344.50 g/mol
LogP5.26
Rot. Bonds4

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

6-methyl-5-(4-methylphenyl)sulfinyl-2-phenylsulfanyl-3,4-dihydro-2H-pyran (PubChem CID 134932018) has the molecular formula C19H20O2S2 and a molecular weight of 344.50 g/mol. Its IUPAC name is 6-methyl-5-(4-methylphenyl)sulfinyl-2-phenylsulfanyl-3,4-dihydro-2H-pyran.

Molecular Properties

Compound Name6-methyl-5-(4-methylphenyl)sulfinyl-2-phenylsulfanyl-3,4-dihydro-2H-pyran
PubChem CID134932018
Molecular FormulaC19H20O2S2
Molecular Weight344.50 g/mol
Exact Mass344.09
IUPAC Name6-methyl-5-(4-methylphenyl)sulfinyl-2-phenylsulfanyl-3,4-dihydro-2H-pyran
SMILESCC1=C(S(=O)c2ccc(C)cc2)CCC(Sc2ccccc2)O1
InChIInChI=1S/C19H20O2S2/c1-14-8-10-17(11-9-14)23(20)18-12-13-19(21-15(18)2)22-16-6-4-3-5-7-16/h3-11,19H,12-13H2,1-2H3
InChIKeyBJEGNIICPZFXOI-UHFFFAOYSA-N
XLogP5.26
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.50
LogP ≤ 55.26
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
2-Methyl-1,3-di[(4-methylphenyl)sulfonyl]propan-2-ol
CID 2740216
1-methyl-4-[(E)-2-[4-methyl-1-(4-methylphenyl)sulfonylpent-1-yn-3-yl]oxyethenyl]sulfonylbenzene
CID 46887408
1,3-Bis-(toluene-4-sulfonyl)-propan-2-one
CID 4098479
1-(3-Ethoxy-1-fluoropropyl)sulfonyl-4-methylbenzene
CID 121008073
[(Z)-1-(benzenesulfonyl)-2-methoxyethenyl]benzene
CID 12555308
1-[(E)-3-ethoxy-1-fluoroprop-2-enyl]sulfonyl-4-methylbenzene
CID 101190135
1-[(Z)-3-ethoxy-1-fluoroprop-2-enyl]sulfonyl-4-methylbenzene
CID 101190136
1-(3-Ethoxy-1-fluoro-2-methylsulfanylpropyl)sulfonyl-4-methylbenzene
CID 134876134
1-methyl-4-[(E)-2-phenylselanyl-1-propoxyethenyl]sulfonylbenzene
CID 10916249
1-[(E)-2-[(E)-but-2-enoxy]but-2-enyl]sulfonyl-4-methylbenzene
CID 13146840

Frequently Asked Questions

What is the IUPAC name of 6-methyl-5-(4-methylphenyl)sulfinyl-2-phenylsulfanyl-3,4-dihydro-2H-pyran?
The IUPAC name of 6-methyl-5-(4-methylphenyl)sulfinyl-2-phenylsulfanyl-3,4-dihydro-2H-pyran (CID 134932018) is 6-methyl-5-(4-methylphenyl)sulfinyl-2-phenylsulfanyl-3,4-dihydro-2H-pyran.
What is the SMILES notation for 6-methyl-5-(4-methylphenyl)sulfinyl-2-phenylsulfanyl-3,4-dihydro-2H-pyran?
The canonical SMILES for 6-methyl-5-(4-methylphenyl)sulfinyl-2-phenylsulfanyl-3,4-dihydro-2H-pyran is CC1=C(S(=O)c2ccc(C)cc2)CCC(Sc2ccccc2)O1.
What is the InChIKey of 6-methyl-5-(4-methylphenyl)sulfinyl-2-phenylsulfanyl-3,4-dihydro-2H-pyran?
The InChIKey is BJEGNIICPZFXOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20O2S2/c1-14-8-10-17(11-9-14)23(20)18-12-13-19(21-15(18)2)22-16-6-4-3-5-7-16/h3-11,19H,12-13H2,1-2H3.
What are the key properties of 6-methyl-5-(4-methylphenyl)sulfinyl-2-phenylsulfanyl-3,4-dihydro-2H-pyran?
6-methyl-5-(4-methylphenyl)sulfinyl-2-phenylsulfanyl-3,4-dihydro-2H-pyran has a molecular weight of 344.50 g/mol, XLogP of 5.26, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-5-(4-methylphenyl)sulfinyl-2-phenylsulfanyl-3,4-dihydro-2H-pyran is sourced from PubChem (CID 134932018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).