tetrakis(dihexoxy-sulfanylidene-sulfido-λ5-phosphane);oxomolybdenum(4+)

C48H104MoO9P4S8 — CID 22360040

IUPACtetrakis(dihexoxy-sulfanylidene-sulfido-λ5-phosphane);oxomolybdenum(4+)
SMILESCCCCCCOP(=S)([S-])OCCCCCC.CCCCCCOP(=S)([S-])OCCCCCC.CCCCCCOP(=S)([S-])OCCCCCC.CCCCCCOP(=S)([S-])OCCCCCC.O=[Mo+4]
InChIInChI=1S/4C12H27O2PS2.Mo.O/c4*1-3-5-7-9-11-13-15(16,17)14-12-10-8-6-4-2;;/h4*3-12H2,1-2H3,(H,16,17);;/q;;;;+4;/p-4
InChIKeyXFKGLPLHIMERPT-UHFFFAOYSA-J
MW1301.72 g/mol
LogP19.69
Rot. Bonds48

About tetrakis(dihexoxy-sulfanylidene-sulfido-λ5-phosphane);oxomolybdenum(4+)

tetrakis(dihexoxy-sulfanylidene-sulfido-λ5-phosphane);oxomolybdenum(4+) (PubChem CID 22360040) has the molecular formula C48H104MoO9P4S8 and a molecular weight of 1301.72 g/mol. Its IUPAC name is tetrakis(dihexoxy-sulfanylidene-sulfido-λ5-phosphane);oxomolybdenum(4+).

Molecular Properties

Compound Nametetrakis(dihexoxy-sulfanylidene-sulfido-λ5-phosphane);oxomolybdenum(4+)
PubChem CID22360040
Molecular FormulaC48H104MoO9P4S8
Molecular Weight1301.72 g/mol
Exact Mass1302.35
IUPAC Nametetrakis(dihexoxy-sulfanylidene-sulfido-λ5-phosphane);oxomolybdenum(4+)
SMILESCCCCCCOP(=S)([S-])OCCCCCC.CCCCCCOP(=S)([S-])OCCCCCC.CCCCCCOP(=S)([S-])OCCCCCC.CCCCCCOP(=S)([S-])OCCCCCC.O=[Mo+4]
InChIInChI=1S/4C12H27O2PS2.Mo.O/c4*1-3-5-7-9-11-13-15(16,17)14-12-10-8-6-4-2;;/h4*3-12H2,1-2H3,(H,16,17);;/q;;;;+4;/p-4
InChIKeyXFKGLPLHIMERPT-UHFFFAOYSA-J
XLogP19.69
TPSA90.91 Ų
H-Bond Donors
H-Bond Acceptors17
Rotatable Bonds48
Heavy Atoms70
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001301.72
LogP ≤ 519.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'thiol_1', 'substructure': 'N/A'}

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Related Compounds

hexoxy-octoxy-sulfanylidene-sulfido-λ5-phosphane
CID 168851280
hexakis(didecoxy-sulfanylidene-sulfido-λ5-phosphane);molybdenum;sulfur monoxide
CID 173026472
tetrakis(dioctoxy-sulfanylidene-sulfido-λ5-phosphane);molybdenum(4+)
CID 174201845
potassium dihexoxy-sulfanylidene-sulfido-lambda5-phosphane
CID 18679
calcium bis(dihexoxy-sulfanylidene-sulfido-λ5-phosphane)
CID 87237721
zinc octoxy-dioxido-sulfanylidene-λ5-phosphane
CID 157333832
di(nonoxy)-sulfanyl-sulfanylidene-λ5-phosphane
CID 3816158
dodecoxy-bis(sulfanyl)-sulfanylidene-λ5-phosphane
CID 21217451
octadecoxy-bis(sulfanyl)-sulfanylidene-λ5-phosphane
CID 21217594
CID 158562006
CID 158562006
dodecyl dioctyl phosphate
CID 57134013
diheptyl hexyl phosphate
CID 175578950

Frequently Asked Questions

What is the IUPAC name of tetrakis(dihexoxy-sulfanylidene-sulfido-λ5-phosphane);oxomolybdenum(4+)?
The IUPAC name of tetrakis(dihexoxy-sulfanylidene-sulfido-λ5-phosphane);oxomolybdenum(4+) (CID 22360040) is tetrakis(dihexoxy-sulfanylidene-sulfido-λ5-phosphane);oxomolybdenum(4+).
What is the SMILES notation for tetrakis(dihexoxy-sulfanylidene-sulfido-λ5-phosphane);oxomolybdenum(4+)?
The canonical SMILES for tetrakis(dihexoxy-sulfanylidene-sulfido-λ5-phosphane);oxomolybdenum(4+) is CCCCCCOP(=S)([S-])OCCCCCC.CCCCCCOP(=S)([S-])OCCCCCC.CCCCCCOP(=S)([S-])OCCCCCC.CCCCCCOP(=S)([S-])OCCCCCC.O=[Mo+4].
What is the InChIKey of tetrakis(dihexoxy-sulfanylidene-sulfido-λ5-phosphane);oxomolybdenum(4+)?
The InChIKey is XFKGLPLHIMERPT-UHFFFAOYSA-J. The full InChI is InChI=1S/4C12H27O2PS2.Mo.O/c4*1-3-5-7-9-11-13-15(16,17)14-12-10-8-6-4-2;;/h4*3-12H2,1-2H3,(H,16,17);;/q;;;;+4;/p-4.
What are the key properties of tetrakis(dihexoxy-sulfanylidene-sulfido-λ5-phosphane);oxomolybdenum(4+)?
tetrakis(dihexoxy-sulfanylidene-sulfido-λ5-phosphane);oxomolybdenum(4+) has a molecular weight of 1301.72 g/mol, XLogP of 19.69, 48 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(dihexoxy-sulfanylidene-sulfido-λ5-phosphane);oxomolybdenum(4+) is sourced from PubChem (CID 22360040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).