2,2,3,3-tetraphenyl-1,4-dithiane

C28H24S2 — CID 12872913

IUPAC2,2,3,3-tetraphenyl-1,4-dithiane
SMILESc1ccc(C2(c3ccccc3)SCCSC2(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C28H24S2/c1-5-13-23(14-6-1)27(24-15-7-2-8-16-24)28(30-22-21-29-27,25-17-9-3-10-18-25)26-19-11-4-12-20-26/h1-20H,21-22H2
InChIKeySSBQUKKRQQVYJC-UHFFFAOYSA-N
MW424.63 g/mol
LogP7.35
Rot. Bonds4

About 2,2,3,3-tetraphenyl-1,4-dithiane

2,2,3,3-tetraphenyl-1,4-dithiane (PubChem CID 12872913) has the molecular formula C28H24S2 and a molecular weight of 424.63 g/mol. Its IUPAC name is 2,2,3,3-tetraphenyl-1,4-dithiane.

Molecular Properties

Compound Name2,2,3,3-tetraphenyl-1,4-dithiane
PubChem CID12872913
Molecular FormulaC28H24S2
Molecular Weight424.63 g/mol
Exact Mass424.13
IUPAC Name2,2,3,3-tetraphenyl-1,4-dithiane
SMILESc1ccc(C2(c3ccccc3)SCCSC2(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C28H24S2/c1-5-13-23(14-6-1)27(24-15-7-2-8-16-24)28(30-22-21-29-27,25-17-9-3-10-18-25)26-19-11-4-12-20-26/h1-20H,21-22H2
InChIKeySSBQUKKRQQVYJC-UHFFFAOYSA-N
XLogP7.35
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.63
LogP ≤ 57.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2,3,3-tetraphenyl-1,4-dithiane?
The IUPAC name of 2,2,3,3-tetraphenyl-1,4-dithiane (CID 12872913) is 2,2,3,3-tetraphenyl-1,4-dithiane.
What is the SMILES notation for 2,2,3,3-tetraphenyl-1,4-dithiane?
The canonical SMILES for 2,2,3,3-tetraphenyl-1,4-dithiane is c1ccc(C2(c3ccccc3)SCCSC2(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 2,2,3,3-tetraphenyl-1,4-dithiane?
The InChIKey is SSBQUKKRQQVYJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24S2/c1-5-13-23(14-6-1)27(24-15-7-2-8-16-24)28(30-22-21-29-27,25-17-9-3-10-18-25)26-19-11-4-12-20-26/h1-20H,21-22H2.
What are the key properties of 2,2,3,3-tetraphenyl-1,4-dithiane?
2,2,3,3-tetraphenyl-1,4-dithiane has a molecular weight of 424.63 g/mol, XLogP of 7.35, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3-tetraphenyl-1,4-dithiane is sourced from PubChem (CID 12872913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).