2,4,6-triphenylthiane 1,1-dioxide

C23H22O2S — CID 15620369

IUPAC2,4,6-triphenylthiane 1,1-dioxide
SMILESO=S1(=O)C(c2ccccc2)CC(c2ccccc2)CC1c1ccccc1
InChIInChI=1S/C23H22O2S/c24-26(25)22(19-12-6-2-7-13-19)16-21(18-10-4-1-5-11-18)17-23(26)20-14-8-3-9-15-20/h1-15,21-23H,16-17H2
InChIKeyLGWKWEBJSHQTRF-UHFFFAOYSA-N
MW362.49 g/mol
LogP5.46
Rot. Bonds3

About 2,4,6-triphenylthiane 1,1-dioxide

2,4,6-triphenylthiane 1,1-dioxide (PubChem CID 15620369) has the molecular formula C23H22O2S and a molecular weight of 362.49 g/mol. Its IUPAC name is 2,4,6-triphenylthiane 1,1-dioxide.

Molecular Properties

Compound Name2,4,6-triphenylthiane 1,1-dioxide
PubChem CID15620369
Molecular FormulaC23H22O2S
Molecular Weight362.49 g/mol
Exact Mass362.13
IUPAC Name2,4,6-triphenylthiane 1,1-dioxide
SMILESO=S1(=O)C(c2ccccc2)CC(c2ccccc2)CC1c1ccccc1
InChIInChI=1S/C23H22O2S/c24-26(25)22(19-12-6-2-7-13-19)16-21(18-10-4-1-5-11-18)17-23(26)20-14-8-3-9-15-20/h1-15,21-23H,16-17H2
InChIKeyLGWKWEBJSHQTRF-UHFFFAOYSA-N
XLogP5.46
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.49
LogP ≤ 55.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,4,6-triphenylthiane 1,1-dioxide?
The IUPAC name of 2,4,6-triphenylthiane 1,1-dioxide (CID 15620369) is 2,4,6-triphenylthiane 1,1-dioxide.
What is the SMILES notation for 2,4,6-triphenylthiane 1,1-dioxide?
The canonical SMILES for 2,4,6-triphenylthiane 1,1-dioxide is O=S1(=O)C(c2ccccc2)CC(c2ccccc2)CC1c1ccccc1.
What is the InChIKey of 2,4,6-triphenylthiane 1,1-dioxide?
The InChIKey is LGWKWEBJSHQTRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22O2S/c24-26(25)22(19-12-6-2-7-13-19)16-21(18-10-4-1-5-11-18)17-23(26)20-14-8-3-9-15-20/h1-15,21-23H,16-17H2.
What are the key properties of 2,4,6-triphenylthiane 1,1-dioxide?
2,4,6-triphenylthiane 1,1-dioxide has a molecular weight of 362.49 g/mol, XLogP of 5.46, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-triphenylthiane 1,1-dioxide is sourced from PubChem (CID 15620369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).