bis([2-(7-methyloctyl)phenoxy]-dioxido-sulfanylidene-λ5-phosphane);molybdenum(4+)

C30H46MoO6P2S2 — CID 142755558

IUPACbis([2-(7-methyloctyl)phenoxy]-dioxido-sulfanylidene-λ5-phosphane);molybdenum(4+)
SMILESCC(C)CCCCCCc1ccccc1OP([O-])([O-])=S.CC(C)CCCCCCc1ccccc1OP([O-])([O-])=S.[Mo+4]
InChIInChI=1S/2C15H25O3PS.Mo/c2*1-13(2)9-5-3-4-6-10-14-11-7-8-12-15(14)18-19(16,17)20;/h2*7-8,11-13H,3-6,9-10H2,1-2H3,(H2,16,17,20);/q;;+4/p-4
InChIKeyRWCQBMIWBYXXIK-UHFFFAOYSA-J
MW724.71 g/mol
LogP6.32
Rot. Bonds18

About bis([2-(7-methyloctyl)phenoxy]-dioxido-sulfanylidene-λ5-phosphane);molybdenum(4+)

bis([2-(7-methyloctyl)phenoxy]-dioxido-sulfanylidene-λ5-phosphane);molybdenum(4+) (PubChem CID 142755558) has the molecular formula C30H46MoO6P2S2 and a molecular weight of 724.71 g/mol. Its IUPAC name is bis([2-(7-methyloctyl)phenoxy]-dioxido-sulfanylidene-λ5-phosphane);molybdenum(4+).

Molecular Properties

Compound Namebis([2-(7-methyloctyl)phenoxy]-dioxido-sulfanylidene-λ5-phosphane);molybdenum(4+)
PubChem CID142755558
Molecular FormulaC30H46MoO6P2S2
Molecular Weight724.71 g/mol
Exact Mass726.13
IUPAC Namebis([2-(7-methyloctyl)phenoxy]-dioxido-sulfanylidene-λ5-phosphane);molybdenum(4+)
SMILESCC(C)CCCCCCc1ccccc1OP([O-])([O-])=S.CC(C)CCCCCCc1ccccc1OP([O-])([O-])=S.[Mo+4]
InChIInChI=1S/2C15H25O3PS.Mo/c2*1-13(2)9-5-3-4-6-10-14-11-7-8-12-15(14)18-19(16,17)20;/h2*7-8,11-13H,3-6,9-10H2,1-2H3,(H2,16,17,20);/q;;+4/p-4
InChIKeyRWCQBMIWBYXXIK-UHFFFAOYSA-J
XLogP6.32
TPSA110.70 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds18
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500724.71
LogP ≤ 56.32
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

bis(bis[2-(6-methylheptyl)phenyl] phosphate);nickel(2+)
CID 88827177
zinc (2-octylphenoxy)-oxido-sulfanylidene-sulfido-λ5-phosphane
CID 70606516
lithium (2-octylphenyl) phosphate
CID 21408120
bis(2-heptylphenyl) phosphate;zinc
CID 140565321
dialuminum;tris((2-nonylphenyl) phosphate)
CID 173352283
(2-nonylphenyl) bis(2-octylphenyl) phosphate
CID 71349653
hexakis(bis(2-nonylphenoxy)-sulfanylidene-sulfido-λ5-phosphane);molybdenum
CID 23071486
2-(10-methylundecyl)benzenesulfonic acid
CID 14767697
bis(bis(2-butylphenyl) phosphate);nickel(2+)
CID 88827321
2-(6-methylheptyl)benzoic acid
CID 23133407
2,6-bis(6-methylheptyl)phenol
CID 14252215
bis(2-hexylphenyl) hydrogen phosphate
CID 14671068

Frequently Asked Questions

What is the IUPAC name of bis([2-(7-methyloctyl)phenoxy]-dioxido-sulfanylidene-λ5-phosphane);molybdenum(4+)?
The IUPAC name of bis([2-(7-methyloctyl)phenoxy]-dioxido-sulfanylidene-λ5-phosphane);molybdenum(4+) (CID 142755558) is bis([2-(7-methyloctyl)phenoxy]-dioxido-sulfanylidene-λ5-phosphane);molybdenum(4+).
What is the SMILES notation for bis([2-(7-methyloctyl)phenoxy]-dioxido-sulfanylidene-λ5-phosphane);molybdenum(4+)?
The canonical SMILES for bis([2-(7-methyloctyl)phenoxy]-dioxido-sulfanylidene-λ5-phosphane);molybdenum(4+) is CC(C)CCCCCCc1ccccc1OP([O-])([O-])=S.CC(C)CCCCCCc1ccccc1OP([O-])([O-])=S.[Mo+4].
What is the InChIKey of bis([2-(7-methyloctyl)phenoxy]-dioxido-sulfanylidene-λ5-phosphane);molybdenum(4+)?
The InChIKey is RWCQBMIWBYXXIK-UHFFFAOYSA-J. The full InChI is InChI=1S/2C15H25O3PS.Mo/c2*1-13(2)9-5-3-4-6-10-14-11-7-8-12-15(14)18-19(16,17)20;/h2*7-8,11-13H,3-6,9-10H2,1-2H3,(H2,16,17,20);/q;;+4/p-4.
What are the key properties of bis([2-(7-methyloctyl)phenoxy]-dioxido-sulfanylidene-λ5-phosphane);molybdenum(4+)?
bis([2-(7-methyloctyl)phenoxy]-dioxido-sulfanylidene-λ5-phosphane);molybdenum(4+) has a molecular weight of 724.71 g/mol, XLogP of 6.32, 18 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for bis([2-(7-methyloctyl)phenoxy]-dioxido-sulfanylidene-λ5-phosphane);molybdenum(4+) is sourced from PubChem (CID 142755558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).