4-methyl-2,3,6-triphenyl-2H-thiopyran

C24H20S — CID 15537466

IUPAC4-methyl-2,3,6-triphenyl-2H-thiopyran
SMILESCC1=C(c2ccccc2)C(c2ccccc2)SC(c2ccccc2)=C1
InChIInChI=1S/C24H20S/c1-18-17-22(19-11-5-2-6-12-19)25-24(21-15-9-4-10-16-21)23(18)20-13-7-3-8-14-20/h2-17,24H,1H3
InChIKeyUYJBUVDKWCURBM-UHFFFAOYSA-N
MW340.49 g/mol
LogP6.99
Rot. Bonds3

About 4-methyl-2,3,6-triphenyl-2H-thiopyran

4-methyl-2,3,6-triphenyl-2H-thiopyran (PubChem CID 15537466) has the molecular formula C24H20S and a molecular weight of 340.49 g/mol. Its IUPAC name is 4-methyl-2,3,6-triphenyl-2H-thiopyran.

Molecular Properties

Compound Name4-methyl-2,3,6-triphenyl-2H-thiopyran
PubChem CID15537466
Molecular FormulaC24H20S
Molecular Weight340.49 g/mol
Exact Mass340.13
IUPAC Name4-methyl-2,3,6-triphenyl-2H-thiopyran
SMILESCC1=C(c2ccccc2)C(c2ccccc2)SC(c2ccccc2)=C1
InChIInChI=1S/C24H20S/c1-18-17-22(19-11-5-2-6-12-19)25-24(21-15-9-4-10-16-21)23(18)20-13-7-3-8-14-20/h2-17,24H,1H3
InChIKeyUYJBUVDKWCURBM-UHFFFAOYSA-N
XLogP6.99
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.49
LogP ≤ 56.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-(4-methoxyphenyl)-2,6-diphenyl-2H-thiopyran
CID 70401522
2,4,6-triphenyl-4H-thiopyran
CID 629780
1,1,3,4,5-pentakis-phenyl-3H-dithiole
CID 174544537
2,4-dimethyl-2,6-diphenylthiopyran
CID 86008412
(4S,5R)-5-fluoro-2-methyl-3,4-diphenylcyclopent-2-en-1-one
CID 138979307
(2R,4R)-2-methyl-2,4,6-triphenyl-3,4-dihydrothiopyran
CID 101223983
2,3,4,5-tetraphenyl-2,5-dihydro-1H-germole
CID 173146259
(4S)-5-methyl-2,3,4-triphenylcyclopent-2-en-1-one
CID 142808769
trimethyl-[(1S,4R)-2,3,5-triphenyl-4-trimethylsilylcyclopent-2-en-1-yl]silane
CID 122210293
(4S)-4-chloro-2-methyl-3-phenylcyclobut-2-en-1-one
CID 820091
(2S,4R)-2,4,6-triphenyl-3,4-dihydro-2H-thiopyran
CID 101223989
2,3-diphenylbicyclo[2.2.1]hept-2-ene
CID 14908753

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2,3,6-triphenyl-2H-thiopyran?
The IUPAC name of 4-methyl-2,3,6-triphenyl-2H-thiopyran (CID 15537466) is 4-methyl-2,3,6-triphenyl-2H-thiopyran.
What is the SMILES notation for 4-methyl-2,3,6-triphenyl-2H-thiopyran?
The canonical SMILES for 4-methyl-2,3,6-triphenyl-2H-thiopyran is CC1=C(c2ccccc2)C(c2ccccc2)SC(c2ccccc2)=C1.
What is the InChIKey of 4-methyl-2,3,6-triphenyl-2H-thiopyran?
The InChIKey is UYJBUVDKWCURBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20S/c1-18-17-22(19-11-5-2-6-12-19)25-24(21-15-9-4-10-16-21)23(18)20-13-7-3-8-14-20/h2-17,24H,1H3.
What are the key properties of 4-methyl-2,3,6-triphenyl-2H-thiopyran?
4-methyl-2,3,6-triphenyl-2H-thiopyran has a molecular weight of 340.49 g/mol, XLogP of 6.99, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2,3,6-triphenyl-2H-thiopyran is sourced from PubChem (CID 15537466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).