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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Related Compounds

4-methoxy-5-methyl-3,3-diphenyldithiolane
CID 167155397
2,3-dimethyl-3-phenylcyclobutan-1-ol
CID 175816648
(1S,3S)-1,3-dimethyl-2-phenyl-1,3-dihydroinden-2-ol
CID 10537911
[(2S,3R)-2,3-dimethyl-1-phenylcyclopropyl]benzene
CID 100931572
cis-(1R,2S)-2-methyl-2-phenylcyclopropan-1-ol
CID 121227035
(3S,4S,5R)-4-hydroxy-3,5-dimethyl-4-phenyloxolan-2-one
CID 102254828
(2S,3R)-2-methyl-3-phenylthiirane
CID 134929070
(2S,3S,3aS,5S,6S,6aS)-3,6-dimethyl-2,3a,5,6a-tetraphenyl-3,6-dihydrofuro[3,2-b]furan-2,5-diol
CID 15650117
3,4-dichloro-2,2-diphenylthietane
CID 5256015
(1S,3S)-2-methyl-2-phenyl-1,3-dihydroindene-1,3-diol
CID 125481717
2-methyl-3-phenylcyclopropan-1-ol
CID 100919927
6-phenyl-4,5-dithiaspiro[2.4]heptan-7-ol
CID 170710510

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).