(2R,4R)-2-methyl-2,4,6-triphenyl-3,4-dihydrothiopyran

C24H22S — CID 101223983

IUPAC(2R,4R)-2-methyl-2,4,6-triphenyl-3,4-dihydrothiopyran
SMILESC[C@]1(c2ccccc2)C[C@@H](c2ccccc2)C=C(c2ccccc2)S1
InChIInChI=1S/C24H22S/c1-24(22-15-9-4-10-16-22)18-21(19-11-5-2-6-12-19)17-23(25-24)20-13-7-3-8-14-20/h2-17,21H,18H2,1H3/t21-,24+/m0/s1
InChIKeyYTAVCVJFIRNGIA-XUZZJYLKSA-N
MW342.51 g/mol
LogP6.86
Rot. Bonds3

About (2R,4R)-2-methyl-2,4,6-triphenyl-3,4-dihydrothiopyran

(2R,4R)-2-methyl-2,4,6-triphenyl-3,4-dihydrothiopyran (PubChem CID 101223983) has the molecular formula C24H22S and a molecular weight of 342.51 g/mol. Its IUPAC name is (2R,4R)-2-methyl-2,4,6-triphenyl-3,4-dihydrothiopyran.

Molecular Properties

Compound Name(2R,4R)-2-methyl-2,4,6-triphenyl-3,4-dihydrothiopyran
PubChem CID101223983
Molecular FormulaC24H22S
Molecular Weight342.51 g/mol
Exact Mass342.14
IUPAC Name(2R,4R)-2-methyl-2,4,6-triphenyl-3,4-dihydrothiopyran
SMILESC[C@]1(c2ccccc2)C[C@@H](c2ccccc2)C=C(c2ccccc2)S1
InChIInChI=1S/C24H22S/c1-24(22-15-9-4-10-16-22)18-21(19-11-5-2-6-12-19)17-23(25-24)20-13-7-3-8-14-20/h2-17,21H,18H2,1H3/t21-,24+/m0/s1
InChIKeyYTAVCVJFIRNGIA-XUZZJYLKSA-N
XLogP6.86
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.51
LogP ≤ 56.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2R,4R)-2-methyl-2,4,6-triphenyl-3,4-dihydrothiopyran?
The IUPAC name of (2R,4R)-2-methyl-2,4,6-triphenyl-3,4-dihydrothiopyran (CID 101223983) is (2R,4R)-2-methyl-2,4,6-triphenyl-3,4-dihydrothiopyran.
What is the SMILES notation for (2R,4R)-2-methyl-2,4,6-triphenyl-3,4-dihydrothiopyran?
The canonical SMILES for (2R,4R)-2-methyl-2,4,6-triphenyl-3,4-dihydrothiopyran is C[C@]1(c2ccccc2)C[C@@H](c2ccccc2)C=C(c2ccccc2)S1.
What is the InChIKey of (2R,4R)-2-methyl-2,4,6-triphenyl-3,4-dihydrothiopyran?
The InChIKey is YTAVCVJFIRNGIA-XUZZJYLKSA-N. The full InChI is InChI=1S/C24H22S/c1-24(22-15-9-4-10-16-22)18-21(19-11-5-2-6-12-19)17-23(25-24)20-13-7-3-8-14-20/h2-17,21H,18H2,1H3/t21-,24+/m0/s1.
What are the key properties of (2R,4R)-2-methyl-2,4,6-triphenyl-3,4-dihydrothiopyran?
(2R,4R)-2-methyl-2,4,6-triphenyl-3,4-dihydrothiopyran has a molecular weight of 342.51 g/mol, XLogP of 6.86, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-2-methyl-2,4,6-triphenyl-3,4-dihydrothiopyran is sourced from PubChem (CID 101223983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).