2,4-dimethyl-2,6-diphenylthiopyran

C19H18S — CID 86008412

IUPAC2,4-dimethyl-2,6-diphenylthiopyran
SMILESCC1=CC(C)(c2ccccc2)SC(c2ccccc2)=C1
InChIInChI=1S/C19H18S/c1-15-13-18(16-9-5-3-6-10-16)20-19(2,14-15)17-11-7-4-8-12-17/h3-14H,1-2H3
InChIKeyUXFJXZPVKOIVCX-UHFFFAOYSA-N
MW278.42 g/mol
LogP5.64
Rot. Bonds2

About 2,4-dimethyl-2,6-diphenylthiopyran

2,4-dimethyl-2,6-diphenylthiopyran (PubChem CID 86008412) has the molecular formula C19H18S and a molecular weight of 278.42 g/mol. Its IUPAC name is 2,4-dimethyl-2,6-diphenylthiopyran.

Molecular Properties

Compound Name2,4-dimethyl-2,6-diphenylthiopyran
PubChem CID86008412
Molecular FormulaC19H18S
Molecular Weight278.42 g/mol
Exact Mass278.11
IUPAC Name2,4-dimethyl-2,6-diphenylthiopyran
SMILESCC1=CC(C)(c2ccccc2)SC(c2ccccc2)=C1
InChIInChI=1S/C19H18S/c1-15-13-18(16-9-5-3-6-10-16)20-19(2,14-15)17-11-7-4-8-12-17/h3-14H,1-2H3
InChIKeyUXFJXZPVKOIVCX-UHFFFAOYSA-N
XLogP5.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500278.42
LogP ≤ 55.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-2,6-diphenylthiopyran?
The IUPAC name of 2,4-dimethyl-2,6-diphenylthiopyran (CID 86008412) is 2,4-dimethyl-2,6-diphenylthiopyran.
What is the SMILES notation for 2,4-dimethyl-2,6-diphenylthiopyran?
The canonical SMILES for 2,4-dimethyl-2,6-diphenylthiopyran is CC1=CC(C)(c2ccccc2)SC(c2ccccc2)=C1.
What is the InChIKey of 2,4-dimethyl-2,6-diphenylthiopyran?
The InChIKey is UXFJXZPVKOIVCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18S/c1-15-13-18(16-9-5-3-6-10-16)20-19(2,14-15)17-11-7-4-8-12-17/h3-14H,1-2H3.
What are the key properties of 2,4-dimethyl-2,6-diphenylthiopyran?
2,4-dimethyl-2,6-diphenylthiopyran has a molecular weight of 278.42 g/mol, XLogP of 5.64, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-2,6-diphenylthiopyran is sourced from PubChem (CID 86008412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).