oxo-phenyl-(3-phenylsulfonothioyloxypropoxy)-sulfanylidene-λ6-sulfane

C15H16O4S4 — CID 142626649

IUPACoxo-phenyl-(3-phenylsulfonothioyloxypropoxy)-sulfanylidene-λ6-sulfane
SMILESO=S(=S)(OCCCOS(=O)(=S)c1ccccc1)c1ccccc1
InChIInChI=1S/C15H16O4S4/c16-22(20,14-8-3-1-4-9-14)18-12-7-13-19-23(17,21)15-10-5-2-6-11-15/h1-6,8-11H,7,12-13H2
InChIKeyMLUYDNPRNOLUIP-UHFFFAOYSA-N
MW388.56 g/mol
LogP2.85
Rot. Bonds8

About oxo-phenyl-(3-phenylsulfonothioyloxypropoxy)-sulfanylidene-λ6-sulfane

oxo-phenyl-(3-phenylsulfonothioyloxypropoxy)-sulfanylidene-λ6-sulfane (PubChem CID 142626649) has the molecular formula C15H16O4S4 and a molecular weight of 388.56 g/mol. Its IUPAC name is oxo-phenyl-(3-phenylsulfonothioyloxypropoxy)-sulfanylidene-λ6-sulfane.

Molecular Properties

Compound Nameoxo-phenyl-(3-phenylsulfonothioyloxypropoxy)-sulfanylidene-λ6-sulfane
PubChem CID142626649
Molecular FormulaC15H16O4S4
Molecular Weight388.56 g/mol
Exact Mass387.99
IUPAC Nameoxo-phenyl-(3-phenylsulfonothioyloxypropoxy)-sulfanylidene-λ6-sulfane
SMILESO=S(=S)(OCCCOS(=O)(=S)c1ccccc1)c1ccccc1
InChIInChI=1S/C15H16O4S4/c16-22(20,14-8-3-1-4-9-14)18-12-7-13-19-23(17,21)15-10-5-2-6-11-15/h1-6,8-11H,7,12-13H2
InChIKeyMLUYDNPRNOLUIP-UHFFFAOYSA-N
XLogP2.85
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.56
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

Ethyl benzenesulfonate
CID 10585
Propyl benzenesulfonate
CID 220447
Benzenesulfinic acid, zinc salt (2:1)
CID 161446
Bis(phenylsulfonyl) Sulfide
CID 257516
Diphenyl disulfone
CID 139145
1,2-Ethanediol, 1,2-dibenzenesulfonate
CID 220449
Pentaerythritol, dibenzenesulfonate
CID 200712
Benzenesulfonic Anhydride
CID 11335509
Nickel bis(benzenesulphonate)
CID 14325094
Bis(phenylsulfonyl) disulphide
CID 80066
3-[(Phenylsulfonyl)oxy]-2,2-bis{[(phenylsulfonyl)oxy]methyl}propyl benzenesulfonate
CID 238874
Ethyl benzenesulfinate
CID 6421224

Frequently Asked Questions

What is the IUPAC name of oxo-phenyl-(3-phenylsulfonothioyloxypropoxy)-sulfanylidene-λ6-sulfane?
The IUPAC name of oxo-phenyl-(3-phenylsulfonothioyloxypropoxy)-sulfanylidene-λ6-sulfane (CID 142626649) is oxo-phenyl-(3-phenylsulfonothioyloxypropoxy)-sulfanylidene-λ6-sulfane.
What is the SMILES notation for oxo-phenyl-(3-phenylsulfonothioyloxypropoxy)-sulfanylidene-λ6-sulfane?
The canonical SMILES for oxo-phenyl-(3-phenylsulfonothioyloxypropoxy)-sulfanylidene-λ6-sulfane is O=S(=S)(OCCCOS(=O)(=S)c1ccccc1)c1ccccc1.
What is the InChIKey of oxo-phenyl-(3-phenylsulfonothioyloxypropoxy)-sulfanylidene-λ6-sulfane?
The InChIKey is MLUYDNPRNOLUIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O4S4/c16-22(20,14-8-3-1-4-9-14)18-12-7-13-19-23(17,21)15-10-5-2-6-11-15/h1-6,8-11H,7,12-13H2.
What are the key properties of oxo-phenyl-(3-phenylsulfonothioyloxypropoxy)-sulfanylidene-λ6-sulfane?
oxo-phenyl-(3-phenylsulfonothioyloxypropoxy)-sulfanylidene-λ6-sulfane has a molecular weight of 388.56 g/mol, XLogP of 2.85, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for oxo-phenyl-(3-phenylsulfonothioyloxypropoxy)-sulfanylidene-λ6-sulfane is sourced from PubChem (CID 142626649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).