4-methoxy-5-methyl-3,3-diphenyldithiolane

C17H18OS2 — CID 167155397

IUPAC4-methoxy-5-methyl-3,3-diphenyldithiolane
SMILESCOC1C(C)SSC1(c1ccccc1)c1ccccc1
InChIInChI=1S/C17H18OS2/c1-13-16(18-2)17(20-19-13,14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-13,16H,1-2H3
InChIKeyMGEKJNAFLDRKLE-UHFFFAOYSA-N
MW302.46 g/mol
LogP4.73
Rot. Bonds3

About 4-methoxy-5-methyl-3,3-diphenyldithiolane

4-methoxy-5-methyl-3,3-diphenyldithiolane (PubChem CID 167155397) has the molecular formula C17H18OS2 and a molecular weight of 302.46 g/mol. Its IUPAC name is 4-methoxy-5-methyl-3,3-diphenyldithiolane.

Molecular Properties

Compound Name4-methoxy-5-methyl-3,3-diphenyldithiolane
PubChem CID167155397
Molecular FormulaC17H18OS2
Molecular Weight302.46 g/mol
Exact Mass302.08
IUPAC Name4-methoxy-5-methyl-3,3-diphenyldithiolane
SMILESCOC1C(C)SSC1(c1ccccc1)c1ccccc1
InChIInChI=1S/C17H18OS2/c1-13-16(18-2)17(20-19-13,14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-13,16H,1-2H3
InChIKeyMGEKJNAFLDRKLE-UHFFFAOYSA-N
XLogP4.73
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.46
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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CID 296785
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S-(Diphenylmethyl) O-octyl methylphosphonodithioate
CID 3052188
Bis(1-phenylpropan-2-yl) sulfite
CID 3057481
3,4-Diphenyltetrahydrofuran, cis-
CID 44403754
[(E,3S)-3-methoxy-7-phenylhept-6-enyl]benzene
CID 44560894
1,1'-(2-Methoxyethane-1,1-diyl)dibenzene
CID 254520
5-Benzyl-1,3-oxathiolane-2-thione
CID 23568274
2-Methyl-4,4-diphenyloxolane
CID 24799575
2,3,5-Trimethyl-4-phenyltetrahydrofuran
CID 3024285
2-(1,1-Diphenylbut-3-enyl)oxirane
CID 11368714
2,2-Dimethyl-4,4-diphenyloxolane
CID 15365935

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-5-methyl-3,3-diphenyldithiolane?
The IUPAC name of 4-methoxy-5-methyl-3,3-diphenyldithiolane (CID 167155397) is 4-methoxy-5-methyl-3,3-diphenyldithiolane.
What is the SMILES notation for 4-methoxy-5-methyl-3,3-diphenyldithiolane?
The canonical SMILES for 4-methoxy-5-methyl-3,3-diphenyldithiolane is COC1C(C)SSC1(c1ccccc1)c1ccccc1.
What is the InChIKey of 4-methoxy-5-methyl-3,3-diphenyldithiolane?
The InChIKey is MGEKJNAFLDRKLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18OS2/c1-13-16(18-2)17(20-19-13,14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-13,16H,1-2H3.
What are the key properties of 4-methoxy-5-methyl-3,3-diphenyldithiolane?
4-methoxy-5-methyl-3,3-diphenyldithiolane has a molecular weight of 302.46 g/mol, XLogP of 4.73, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-5-methyl-3,3-diphenyldithiolane is sourced from PubChem (CID 167155397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).