4-(3-methylphenyl)sulfonyl-2-(methylsulfanylmethyl)-5-phenyl-2,3-dihydrofuran

C19H20O3S2 — CID 171059867

IUPAC4-(3-methylphenyl)sulfonyl-2-(methylsulfanylmethyl)-5-phenyl-2,3-dihydrofuran
SMILESCSCC1CC(S(=O)(=O)c2cccc(C)c2)=C(c2ccccc2)O1
InChIInChI=1S/C19H20O3S2/c1-14-7-6-10-17(11-14)24(20,21)18-12-16(13-23-2)22-19(18)15-8-4-3-5-9-15/h3-11,16H,12-13H2,1-2H3
InChIKeyRVMAPYMZQNMUMQ-UHFFFAOYSA-N
MW360.50 g/mol
LogP4.29
Rot. Bonds5

About 4-(3-methylphenyl)sulfonyl-2-(methylsulfanylmethyl)-5-phenyl-2,3-dihydrofuran

4-(3-methylphenyl)sulfonyl-2-(methylsulfanylmethyl)-5-phenyl-2,3-dihydrofuran (PubChem CID 171059867) has the molecular formula C19H20O3S2 and a molecular weight of 360.50 g/mol. Its IUPAC name is 4-(3-methylphenyl)sulfonyl-2-(methylsulfanylmethyl)-5-phenyl-2,3-dihydrofuran.

Molecular Properties

Compound Name4-(3-methylphenyl)sulfonyl-2-(methylsulfanylmethyl)-5-phenyl-2,3-dihydrofuran
PubChem CID171059867
Molecular FormulaC19H20O3S2
Molecular Weight360.50 g/mol
Exact Mass360.09
IUPAC Name4-(3-methylphenyl)sulfonyl-2-(methylsulfanylmethyl)-5-phenyl-2,3-dihydrofuran
SMILESCSCC1CC(S(=O)(=O)c2cccc(C)c2)=C(c2ccccc2)O1
InChIInChI=1S/C19H20O3S2/c1-14-7-6-10-17(11-14)24(20,21)18-12-16(13-23-2)22-19(18)15-8-4-3-5-9-15/h3-11,16H,12-13H2,1-2H3
InChIKeyRVMAPYMZQNMUMQ-UHFFFAOYSA-N
XLogP4.29
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.50
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3-methylphenyl)sulfonyl-2-(methylsulfanylmethyl)-5-phenyl-2,3-dihydrofuran?
The IUPAC name of 4-(3-methylphenyl)sulfonyl-2-(methylsulfanylmethyl)-5-phenyl-2,3-dihydrofuran (CID 171059867) is 4-(3-methylphenyl)sulfonyl-2-(methylsulfanylmethyl)-5-phenyl-2,3-dihydrofuran.
What is the SMILES notation for 4-(3-methylphenyl)sulfonyl-2-(methylsulfanylmethyl)-5-phenyl-2,3-dihydrofuran?
The canonical SMILES for 4-(3-methylphenyl)sulfonyl-2-(methylsulfanylmethyl)-5-phenyl-2,3-dihydrofuran is CSCC1CC(S(=O)(=O)c2cccc(C)c2)=C(c2ccccc2)O1.
What is the InChIKey of 4-(3-methylphenyl)sulfonyl-2-(methylsulfanylmethyl)-5-phenyl-2,3-dihydrofuran?
The InChIKey is RVMAPYMZQNMUMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20O3S2/c1-14-7-6-10-17(11-14)24(20,21)18-12-16(13-23-2)22-19(18)15-8-4-3-5-9-15/h3-11,16H,12-13H2,1-2H3.
What are the key properties of 4-(3-methylphenyl)sulfonyl-2-(methylsulfanylmethyl)-5-phenyl-2,3-dihydrofuran?
4-(3-methylphenyl)sulfonyl-2-(methylsulfanylmethyl)-5-phenyl-2,3-dihydrofuran has a molecular weight of 360.50 g/mol, XLogP of 4.29, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylphenyl)sulfonyl-2-(methylsulfanylmethyl)-5-phenyl-2,3-dihydrofuran is sourced from PubChem (CID 171059867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).