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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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).