bis(dioxido-sulfanylidene-tridecylsulfanyl-λ5-phosphane);molybdenum(4+)

C26H54MoO4P2S4 — CID 162208219

IUPACbis(dioxido-sulfanylidene-tridecylsulfanyl-λ5-phosphane);molybdenum(4+)
SMILESCCCCCCCCCCCCCSP([O-])([O-])=S.CCCCCCCCCCCCCSP([O-])([O-])=S.[Mo+4]
InChIInChI=1S/2C13H29O2PS2.Mo/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-18-16(14,15)17;/h2*2-13H2,1H3,(H2,14,15,17);/q;;+4/p-4
InChIKeyZSMHZALFBOANOA-UHFFFAOYSA-J
MW716.87 g/mol
LogP7.95
Rot. Bonds26

About bis(dioxido-sulfanylidene-tridecylsulfanyl-λ5-phosphane);molybdenum(4+)

bis(dioxido-sulfanylidene-tridecylsulfanyl-λ5-phosphane);molybdenum(4+) (PubChem CID 162208219) has the molecular formula C26H54MoO4P2S4 and a molecular weight of 716.87 g/mol. Its IUPAC name is bis(dioxido-sulfanylidene-tridecylsulfanyl-λ5-phosphane);molybdenum(4+).

Molecular Properties

Compound Namebis(dioxido-sulfanylidene-tridecylsulfanyl-λ5-phosphane);molybdenum(4+)
PubChem CID162208219
Molecular FormulaC26H54MoO4P2S4
Molecular Weight716.87 g/mol
Exact Mass718.14
IUPAC Namebis(dioxido-sulfanylidene-tridecylsulfanyl-λ5-phosphane);molybdenum(4+)
SMILESCCCCCCCCCCCCCSP([O-])([O-])=S.CCCCCCCCCCCCCSP([O-])([O-])=S.[Mo+4]
InChIInChI=1S/2C13H29O2PS2.Mo/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-18-16(14,15)17;/h2*2-13H2,1H3,(H2,14,15,17);/q;;+4/p-4
InChIKeyZSMHZALFBOANOA-UHFFFAOYSA-J
XLogP7.95
TPSA92.24 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds26
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500716.87
LogP ≤ 57.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

copper octylsulfanyl-dioxido-sulfanylidene-λ5-phosphane
CID 141062183
dihydroxy-sulfanylidene-tetradecylsulfanyl-λ5-phosphane
CID 21217456
dichloro-pentylsulfanyl-sulfanylidene-lambda5-phosphane
CID 15833782
didecoxy-decylsulfanyl-sulfanylidene-lambda5-phosphane
CID 12598537
octoxy-bis(octylsulfanyl)-sulfanylidene-λ5-phosphane
CID 54515285
hydroxy-octylsulfanyl-propoxy-sulfanylidene-λ5-phosphane
CID 174981933
hydroxy-sulfanylidene-triacontoxy-triacontylsulfanyl-λ5-phosphane
CID 161189025
potassium butylsulfanyl-ethoxy-oxido-sulfanylidene-λ5-phosphane
CID 88816879
1-dichlorophosphorylsulfanylhexane
CID 19915290
decylsulfanylphosphonic acid
CID 21217457
zinc bis(octoxy-oxido-propylsulfanyl-sulfanylidene-λ5-phosphane)
CID 162084405
hydroxy-octoxy-octylsulfanyl-sulfanylidene-λ5-phosphane;zinc
CID 87073233

Frequently Asked Questions

What is the IUPAC name of bis(dioxido-sulfanylidene-tridecylsulfanyl-λ5-phosphane);molybdenum(4+)?
The IUPAC name of bis(dioxido-sulfanylidene-tridecylsulfanyl-λ5-phosphane);molybdenum(4+) (CID 162208219) is bis(dioxido-sulfanylidene-tridecylsulfanyl-λ5-phosphane);molybdenum(4+).
What is the SMILES notation for bis(dioxido-sulfanylidene-tridecylsulfanyl-λ5-phosphane);molybdenum(4+)?
The canonical SMILES for bis(dioxido-sulfanylidene-tridecylsulfanyl-λ5-phosphane);molybdenum(4+) is CCCCCCCCCCCCCSP([O-])([O-])=S.CCCCCCCCCCCCCSP([O-])([O-])=S.[Mo+4].
What is the InChIKey of bis(dioxido-sulfanylidene-tridecylsulfanyl-λ5-phosphane);molybdenum(4+)?
The InChIKey is ZSMHZALFBOANOA-UHFFFAOYSA-J. The full InChI is InChI=1S/2C13H29O2PS2.Mo/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-18-16(14,15)17;/h2*2-13H2,1H3,(H2,14,15,17);/q;;+4/p-4.
What are the key properties of bis(dioxido-sulfanylidene-tridecylsulfanyl-λ5-phosphane);molybdenum(4+)?
bis(dioxido-sulfanylidene-tridecylsulfanyl-λ5-phosphane);molybdenum(4+) has a molecular weight of 716.87 g/mol, XLogP of 7.95, 26 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for bis(dioxido-sulfanylidene-tridecylsulfanyl-λ5-phosphane);molybdenum(4+) is sourced from PubChem (CID 162208219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).