2,4,6-trimethyl-2,4,6-triphenyl-1,3,5-trithiane

C24H24S3 — CID 585929

IUPAC2,4,6-trimethyl-2,4,6-triphenyl-1,3,5-trithiane
SMILESCC1(c2ccccc2)SC(C)(c2ccccc2)SC(C)(c2ccccc2)S1
InChIInChI=1S/C24H24S3/c1-22(19-13-7-4-8-14-19)25-23(2,20-15-9-5-10-16-20)27-24(3,26-22)21-17-11-6-12-18-21/h4-18H,1-3H3
InChIKeyTXNAAJVHWOBHAM-UHFFFAOYSA-N
MW408.66 g/mol
LogP7.82
Rot. Bonds3

About 2,4,6-trimethyl-2,4,6-triphenyl-1,3,5-trithiane

2,4,6-trimethyl-2,4,6-triphenyl-1,3,5-trithiane (PubChem CID 585929) has the molecular formula C24H24S3 and a molecular weight of 408.66 g/mol. Its IUPAC name is 2,4,6-trimethyl-2,4,6-triphenyl-1,3,5-trithiane.

Molecular Properties

Compound Name2,4,6-trimethyl-2,4,6-triphenyl-1,3,5-trithiane
PubChem CID585929
Molecular FormulaC24H24S3
Molecular Weight408.66 g/mol
Exact Mass408.10
IUPAC Name2,4,6-trimethyl-2,4,6-triphenyl-1,3,5-trithiane
SMILESCC1(c2ccccc2)SC(C)(c2ccccc2)SC(C)(c2ccccc2)S1
InChIInChI=1S/C24H24S3/c1-22(19-13-7-4-8-14-19)25-23(2,20-15-9-5-10-16-20)27-24(3,26-22)21-17-11-6-12-18-21/h4-18H,1-3H3
InChIKeyTXNAAJVHWOBHAM-UHFFFAOYSA-N
XLogP7.82
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.66
LogP ≤ 57.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,4,6-trimethyl-2,4,6-triphenyl-1,3,5-trithiane?
The IUPAC name of 2,4,6-trimethyl-2,4,6-triphenyl-1,3,5-trithiane (CID 585929) is 2,4,6-trimethyl-2,4,6-triphenyl-1,3,5-trithiane.
What is the SMILES notation for 2,4,6-trimethyl-2,4,6-triphenyl-1,3,5-trithiane?
The canonical SMILES for 2,4,6-trimethyl-2,4,6-triphenyl-1,3,5-trithiane is CC1(c2ccccc2)SC(C)(c2ccccc2)SC(C)(c2ccccc2)S1.
What is the InChIKey of 2,4,6-trimethyl-2,4,6-triphenyl-1,3,5-trithiane?
The InChIKey is TXNAAJVHWOBHAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24S3/c1-22(19-13-7-4-8-14-19)25-23(2,20-15-9-5-10-16-20)27-24(3,26-22)21-17-11-6-12-18-21/h4-18H,1-3H3.
What are the key properties of 2,4,6-trimethyl-2,4,6-triphenyl-1,3,5-trithiane?
2,4,6-trimethyl-2,4,6-triphenyl-1,3,5-trithiane has a molecular weight of 408.66 g/mol, XLogP of 7.82, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-trimethyl-2,4,6-triphenyl-1,3,5-trithiane is sourced from PubChem (CID 585929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).