tetrakis(3-methylbutoxy-(3-methylbutylsulfanyl)-oxido-sulfanylidene-λ5-phosphane);molybdenum(4+)

C40H88MoO8P4S8 — CID 140546243

IUPACtetrakis(3-methylbutoxy-(3-methylbutylsulfanyl)-oxido-sulfanylidene-λ5-phosphane);molybdenum(4+)
SMILESCC(C)CCOP([O-])(=S)SCCC(C)C.CC(C)CCOP([O-])(=S)SCCC(C)C.CC(C)CCOP([O-])(=S)SCCC(C)C.CC(C)CCOP([O-])(=S)SCCC(C)C.[Mo+4]
InChIInChI=1S/4C10H23O2PS2.Mo/c4*1-9(2)5-7-12-13(11,14)15-8-6-10(3)4;/h4*9-10H,5-8H2,1-4H3,(H,11,14);/q;;;;+4/p-4
InChIKeyMOAIDZZGWDGROY-UHFFFAOYSA-J
MW1173.51 g/mol
LogP13.65
Rot. Bonds32

About tetrakis(3-methylbutoxy-(3-methylbutylsulfanyl)-oxido-sulfanylidene-λ5-phosphane);molybdenum(4+)

tetrakis(3-methylbutoxy-(3-methylbutylsulfanyl)-oxido-sulfanylidene-λ5-phosphane);molybdenum(4+) (PubChem CID 140546243) has the molecular formula C40H88MoO8P4S8 and a molecular weight of 1173.51 g/mol. Its IUPAC name is tetrakis(3-methylbutoxy-(3-methylbutylsulfanyl)-oxido-sulfanylidene-λ5-phosphane);molybdenum(4+).

Molecular Properties

Compound Nametetrakis(3-methylbutoxy-(3-methylbutylsulfanyl)-oxido-sulfanylidene-λ5-phosphane);molybdenum(4+)
PubChem CID140546243
Molecular FormulaC40H88MoO8P4S8
Molecular Weight1173.51 g/mol
Exact Mass1174.22
IUPAC Nametetrakis(3-methylbutoxy-(3-methylbutylsulfanyl)-oxido-sulfanylidene-λ5-phosphane);molybdenum(4+)
SMILESCC(C)CCOP([O-])(=S)SCCC(C)C.CC(C)CCOP([O-])(=S)SCCC(C)C.CC(C)CCOP([O-])(=S)SCCC(C)C.CC(C)CCOP([O-])(=S)SCCC(C)C.[Mo+4]
InChIInChI=1S/4C10H23O2PS2.Mo/c4*1-9(2)5-7-12-13(11,14)15-8-6-10(3)4;/h4*9-10H,5-8H2,1-4H3,(H,11,14);/q;;;;+4/p-4
InChIKeyMOAIDZZGWDGROY-UHFFFAOYSA-J
XLogP13.65
TPSA129.16 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds32
Heavy Atoms61
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001173.51
LogP ≤ 513.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

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

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Related Compounds

antimony(3+);tris(oxido-propoxy-propylsulfanyl-sulfanylidene-λ5-phosphane)
CID 175173432
zinc bis(octoxy-oxido-propylsulfanyl-sulfanylidene-λ5-phosphane)
CID 162084405
potassium butylsulfanyl-ethoxy-oxido-sulfanylidene-λ5-phosphane
CID 88816879
3-methylbutoxy-(2-methylpropoxy)-sulfanylidene-sulfido-λ5-phosphane
CID 86195651
1-[ethyl(3-methylbutoxy)phosphoryl]oxy-3-methylbutane
CID 170851032
potassium ethoxy-(3-methoxypropylsulfanyl)-oxido-sulfanylidene-λ5-phosphane
CID 23671261
azanium bis(2-methylpropoxy)-oxido-sulfanylidene-λ5-phosphane
CID 171480655
1-[chloro(ethoxy)phosphoryl]sulfanyl-3-methylbutane
CID 21430275
ethoxy-ethylsulfanyl-oxido-sulfanylidene-λ5-phosphane;nickel(2+)
CID 21151066
azanium 3-methylbutyl dihydrogen phosphate
CID 21149534
3-methyl-N-[methyl(3-methylbutoxy)phosphoryl]butan-1-amine
CID 148613615
3-methyl-1-(3-methylbutylsulfanyl)butane
CID 10990

Frequently Asked Questions

What is the IUPAC name of tetrakis(3-methylbutoxy-(3-methylbutylsulfanyl)-oxido-sulfanylidene-λ5-phosphane);molybdenum(4+)?
The IUPAC name of tetrakis(3-methylbutoxy-(3-methylbutylsulfanyl)-oxido-sulfanylidene-λ5-phosphane);molybdenum(4+) (CID 140546243) is tetrakis(3-methylbutoxy-(3-methylbutylsulfanyl)-oxido-sulfanylidene-λ5-phosphane);molybdenum(4+).
What is the SMILES notation for tetrakis(3-methylbutoxy-(3-methylbutylsulfanyl)-oxido-sulfanylidene-λ5-phosphane);molybdenum(4+)?
The canonical SMILES for tetrakis(3-methylbutoxy-(3-methylbutylsulfanyl)-oxido-sulfanylidene-λ5-phosphane);molybdenum(4+) is CC(C)CCOP([O-])(=S)SCCC(C)C.CC(C)CCOP([O-])(=S)SCCC(C)C.CC(C)CCOP([O-])(=S)SCCC(C)C.CC(C)CCOP([O-])(=S)SCCC(C)C.[Mo+4].
What is the InChIKey of tetrakis(3-methylbutoxy-(3-methylbutylsulfanyl)-oxido-sulfanylidene-λ5-phosphane);molybdenum(4+)?
The InChIKey is MOAIDZZGWDGROY-UHFFFAOYSA-J. The full InChI is InChI=1S/4C10H23O2PS2.Mo/c4*1-9(2)5-7-12-13(11,14)15-8-6-10(3)4;/h4*9-10H,5-8H2,1-4H3,(H,11,14);/q;;;;+4/p-4.
What are the key properties of tetrakis(3-methylbutoxy-(3-methylbutylsulfanyl)-oxido-sulfanylidene-λ5-phosphane);molybdenum(4+)?
tetrakis(3-methylbutoxy-(3-methylbutylsulfanyl)-oxido-sulfanylidene-λ5-phosphane);molybdenum(4+) has a molecular weight of 1173.51 g/mol, XLogP of 13.65, 32 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(3-methylbutoxy-(3-methylbutylsulfanyl)-oxido-sulfanylidene-λ5-phosphane);molybdenum(4+) is sourced from PubChem (CID 140546243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).