4-methylsulfanyl-2,6-diphenyl-4H-pyran

C18H16OS — CID 156601254

IUPAC4-methylsulfanyl-2,6-diphenyl-4H-pyran
SMILESCSC1C=C(c2ccccc2)OC(c2ccccc2)=C1
InChIInChI=1S/C18H16OS/c1-20-16-12-17(14-8-4-2-5-9-14)19-18(13-16)15-10-6-3-7-11-15/h2-13,16H,1H3
InChIKeyHRFIBMQZRHCUKY-UHFFFAOYSA-N
MW280.39 g/mol
LogP4.83
Rot. Bonds3

About 4-methylsulfanyl-2,6-diphenyl-4H-pyran

4-methylsulfanyl-2,6-diphenyl-4H-pyran (PubChem CID 156601254) has the molecular formula C18H16OS and a molecular weight of 280.39 g/mol. Its IUPAC name is 4-methylsulfanyl-2,6-diphenyl-4H-pyran.

Molecular Properties

Compound Name4-methylsulfanyl-2,6-diphenyl-4H-pyran
PubChem CID156601254
Molecular FormulaC18H16OS
Molecular Weight280.39 g/mol
Exact Mass280.09
IUPAC Name4-methylsulfanyl-2,6-diphenyl-4H-pyran
SMILESCSC1C=C(c2ccccc2)OC(c2ccccc2)=C1
InChIInChI=1S/C18H16OS/c1-20-16-12-17(14-8-4-2-5-9-14)19-18(13-16)15-10-6-3-7-11-15/h2-13,16H,1H3
InChIKeyHRFIBMQZRHCUKY-UHFFFAOYSA-N
XLogP4.83
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methylsulfanyl-2,6-diphenyl-4H-pyran?
The IUPAC name of 4-methylsulfanyl-2,6-diphenyl-4H-pyran (CID 156601254) is 4-methylsulfanyl-2,6-diphenyl-4H-pyran.
What is the SMILES notation for 4-methylsulfanyl-2,6-diphenyl-4H-pyran?
The canonical SMILES for 4-methylsulfanyl-2,6-diphenyl-4H-pyran is CSC1C=C(c2ccccc2)OC(c2ccccc2)=C1.
What is the InChIKey of 4-methylsulfanyl-2,6-diphenyl-4H-pyran?
The InChIKey is HRFIBMQZRHCUKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16OS/c1-20-16-12-17(14-8-4-2-5-9-14)19-18(13-16)15-10-6-3-7-11-15/h2-13,16H,1H3.
What are the key properties of 4-methylsulfanyl-2,6-diphenyl-4H-pyran?
4-methylsulfanyl-2,6-diphenyl-4H-pyran has a molecular weight of 280.39 g/mol, XLogP of 4.83, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylsulfanyl-2,6-diphenyl-4H-pyran is sourced from PubChem (CID 156601254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).