5-methyl-3,3-diphenyldithiolan-4-ol

C16H16OS2 — CID 164565347

IUPAC5-methyl-3,3-diphenyldithiolan-4-ol
SMILESCC1SSC(c2ccccc2)(c2ccccc2)C1O
InChIInChI=1S/C16H16OS2/c1-12-15(17)16(19-18-12,13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2-12,15,17H,1H3
InChIKeyHVXGJAUAIGVGGR-UHFFFAOYSA-N
MW288.44 g/mol
LogP4.07
Rot. Bonds2

About 5-methyl-3,3-diphenyldithiolan-4-ol

5-methyl-3,3-diphenyldithiolan-4-ol (PubChem CID 164565347) has the molecular formula C16H16OS2 and a molecular weight of 288.44 g/mol. Its IUPAC name is 5-methyl-3,3-diphenyldithiolan-4-ol.

Molecular Properties

Compound Name5-methyl-3,3-diphenyldithiolan-4-ol
PubChem CID164565347
Molecular FormulaC16H16OS2
Molecular Weight288.44 g/mol
Exact Mass288.06
IUPAC Name5-methyl-3,3-diphenyldithiolan-4-ol
SMILESCC1SSC(c2ccccc2)(c2ccccc2)C1O
InChIInChI=1S/C16H16OS2/c1-12-15(17)16(19-18-12,13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2-12,15,17H,1H3
InChIKeyHVXGJAUAIGVGGR-UHFFFAOYSA-N
XLogP4.07
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'disulphide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-3,3-diphenyldithiolan-4-ol?
The IUPAC name of 5-methyl-3,3-diphenyldithiolan-4-ol (CID 164565347) is 5-methyl-3,3-diphenyldithiolan-4-ol.
What is the SMILES notation for 5-methyl-3,3-diphenyldithiolan-4-ol?
The canonical SMILES for 5-methyl-3,3-diphenyldithiolan-4-ol is CC1SSC(c2ccccc2)(c2ccccc2)C1O.
What is the InChIKey of 5-methyl-3,3-diphenyldithiolan-4-ol?
The InChIKey is HVXGJAUAIGVGGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16OS2/c1-12-15(17)16(19-18-12,13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2-12,15,17H,1H3.
What are the key properties of 5-methyl-3,3-diphenyldithiolan-4-ol?
5-methyl-3,3-diphenyldithiolan-4-ol has a molecular weight of 288.44 g/mol, XLogP of 4.07, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3,3-diphenyldithiolan-4-ol is sourced from PubChem (CID 164565347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).