2,4,6-tribenzyl-1,3,5-trithiane

C24H24S3 — CID 15804274

IUPAC2,4,6-tribenzyl-1,3,5-trithiane
SMILESc1ccc(CC2SC(Cc3ccccc3)SC(Cc3ccccc3)S2)cc1
InChIInChI=1S/C24H24S3/c1-4-10-19(11-5-1)16-22-25-23(17-20-12-6-2-7-13-20)27-24(26-22)18-21-14-8-3-9-15-21/h1-15,22-24H,16-18H2
InChIKeyWFXMNOZGMALOQC-UHFFFAOYSA-N
MW408.66 g/mol
LogP6.91
Rot. Bonds6

About 2,4,6-tribenzyl-1,3,5-trithiane

2,4,6-tribenzyl-1,3,5-trithiane (PubChem CID 15804274) has the molecular formula C24H24S3 and a molecular weight of 408.66 g/mol. Its IUPAC name is 2,4,6-tribenzyl-1,3,5-trithiane.

Molecular Properties

Compound Name2,4,6-tribenzyl-1,3,5-trithiane
PubChem CID15804274
Molecular FormulaC24H24S3
Molecular Weight408.66 g/mol
Exact Mass408.10
IUPAC Name2,4,6-tribenzyl-1,3,5-trithiane
SMILESc1ccc(CC2SC(Cc3ccccc3)SC(Cc3ccccc3)S2)cc1
InChIInChI=1S/C24H24S3/c1-4-10-19(11-5-1)16-22-25-23(17-20-12-6-2-7-13-20)27-24(26-22)18-21-14-8-3-9-15-21/h1-15,22-24H,16-18H2
InChIKeyWFXMNOZGMALOQC-UHFFFAOYSA-N
XLogP6.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.66
LogP ≤ 56.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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(4-benzylcyclobut-2-yn-1-yl)methylbenzene
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(2R)-2-benzyl-1-methylaziridine
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(2S)-2-benzyl-2H-azirine
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5-benzyl-1,3-thiazolidine-2,4-diol
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2,5-dibenzyl-2,5-dihydropyrazine
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CID 123173649
CID 123173649
(1S,4S)-2,5-dibenzylbicyclo[2.2.1]heptane
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cyclopropylmethylbenzene;ethane;methane
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Frequently Asked Questions

What is the IUPAC name of 2,4,6-tribenzyl-1,3,5-trithiane?
The IUPAC name of 2,4,6-tribenzyl-1,3,5-trithiane (CID 15804274) is 2,4,6-tribenzyl-1,3,5-trithiane.
What is the SMILES notation for 2,4,6-tribenzyl-1,3,5-trithiane?
The canonical SMILES for 2,4,6-tribenzyl-1,3,5-trithiane is c1ccc(CC2SC(Cc3ccccc3)SC(Cc3ccccc3)S2)cc1.
What is the InChIKey of 2,4,6-tribenzyl-1,3,5-trithiane?
The InChIKey is WFXMNOZGMALOQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24S3/c1-4-10-19(11-5-1)16-22-25-23(17-20-12-6-2-7-13-20)27-24(26-22)18-21-14-8-3-9-15-21/h1-15,22-24H,16-18H2.
What are the key properties of 2,4,6-tribenzyl-1,3,5-trithiane?
2,4,6-tribenzyl-1,3,5-trithiane has a molecular weight of 408.66 g/mol, XLogP of 6.91, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-tribenzyl-1,3,5-trithiane is sourced from PubChem (CID 15804274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).