1-oxo-2,6-diphenylthian-4-ol

C17H18O2S — CID 23047099

IUPAC1-oxo-2,6-diphenylthian-4-ol
SMILESO=S1C(c2ccccc2)CC(O)CC1c1ccccc1
InChIInChI=1S/C17H18O2S/c18-15-11-16(13-7-3-1-4-8-13)20(19)17(12-15)14-9-5-2-6-10-14/h1-10,15-18H,11-12H2
InChIKeyCZIDAYSPLJWXJP-UHFFFAOYSA-N
MW286.40 g/mol
LogP3.37
Rot. Bonds2

About 1-oxo-2,6-diphenylthian-4-ol

1-oxo-2,6-diphenylthian-4-ol (PubChem CID 23047099) has the molecular formula C17H18O2S and a molecular weight of 286.40 g/mol. Its IUPAC name is 1-oxo-2,6-diphenylthian-4-ol.

Molecular Properties

Compound Name1-oxo-2,6-diphenylthian-4-ol
PubChem CID23047099
Molecular FormulaC17H18O2S
Molecular Weight286.40 g/mol
Exact Mass286.10
IUPAC Name1-oxo-2,6-diphenylthian-4-ol
SMILESO=S1C(c2ccccc2)CC(O)CC1c1ccccc1
InChIInChI=1S/C17H18O2S/c18-15-11-16(13-7-3-1-4-8-13)20(19)17(12-15)14-9-5-2-6-10-14/h1-10,15-18H,11-12H2
InChIKeyCZIDAYSPLJWXJP-UHFFFAOYSA-N
XLogP3.37
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-oxo-2,6-diphenylthian-4-ol?
The IUPAC name of 1-oxo-2,6-diphenylthian-4-ol (CID 23047099) is 1-oxo-2,6-diphenylthian-4-ol.
What is the SMILES notation for 1-oxo-2,6-diphenylthian-4-ol?
The canonical SMILES for 1-oxo-2,6-diphenylthian-4-ol is O=S1C(c2ccccc2)CC(O)CC1c1ccccc1.
What is the InChIKey of 1-oxo-2,6-diphenylthian-4-ol?
The InChIKey is CZIDAYSPLJWXJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O2S/c18-15-11-16(13-7-3-1-4-8-13)20(19)17(12-15)14-9-5-2-6-10-14/h1-10,15-18H,11-12H2.
What are the key properties of 1-oxo-2,6-diphenylthian-4-ol?
1-oxo-2,6-diphenylthian-4-ol has a molecular weight of 286.40 g/mol, XLogP of 3.37, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-oxo-2,6-diphenylthian-4-ol is sourced from PubChem (CID 23047099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).