tetrakis(bis(2-ethylhexoxy)-sulfanylidene-sulfido-lambda5-phosphane);molybdenum(4+)

C64H136MoO8P4S8 — CID 14251929

IUPACtetrakis(bis(2-ethylhexoxy)-sulfanylidene-sulfido-lambda5-phosphane);molybdenum(4+)
SMILESCCCCC(CC)COP(=S)([S-])OCC(CC)CCCC.CCCCC(CC)COP(=S)([S-])OCC(CC)CCCC.CCCCC(CC)COP(=S)([S-])OCC(CC)CCCC.CCCCC(CC)COP(=S)([S-])OCC(CC)CCCC.[Mo+4]
InChIInChI=1S/4C16H35O2PS2.Mo/c4*1-5-9-11-15(7-3)13-17-19(20,21)18-14-16(8-4)12-10-6-2;/h4*15-16H,5-14H2,1-4H3,(H,20,21);/q;;;;+4/p-4
InChIKeyIGQZZFRJXSNEPQ-UHFFFAOYSA-J
MW1510.16 g/mol
LogP24.89
Rot. Bonds56

About tetrakis(bis(2-ethylhexoxy)-sulfanylidene-sulfido-lambda5-phosphane);molybdenum(4+)

tetrakis(bis(2-ethylhexoxy)-sulfanylidene-sulfido-lambda5-phosphane);molybdenum(4+) (PubChem CID 14251929) has the molecular formula C64H136MoO8P4S8 and a molecular weight of 1510.16 g/mol. Its IUPAC name is tetrakis(bis(2-ethylhexoxy)-sulfanylidene-sulfido-lambda5-phosphane);molybdenum(4+).

Molecular Properties

Compound Nametetrakis(bis(2-ethylhexoxy)-sulfanylidene-sulfido-lambda5-phosphane);molybdenum(4+)
PubChem CID14251929
Molecular FormulaC64H136MoO8P4S8
Molecular Weight1510.16 g/mol
Exact Mass1510.60
IUPAC Nametetrakis(bis(2-ethylhexoxy)-sulfanylidene-sulfido-lambda5-phosphane);molybdenum(4+)
SMILESCCCCC(CC)COP(=S)([S-])OCC(CC)CCCC.CCCCC(CC)COP(=S)([S-])OCC(CC)CCCC.CCCCC(CC)COP(=S)([S-])OCC(CC)CCCC.CCCCC(CC)COP(=S)([S-])OCC(CC)CCCC.[Mo+4]
InChIInChI=1S/4C16H35O2PS2.Mo/c4*1-5-9-11-15(7-3)13-17-19(20,21)18-14-16(8-4)12-10-6-2;/h4*15-16H,5-14H2,1-4H3,(H,20,21);/q;;;;+4/p-4
InChIKeyIGQZZFRJXSNEPQ-UHFFFAOYSA-J
XLogP24.89
TPSA73.84 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds56
Heavy Atoms85
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001510.16
LogP ≤ 524.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

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

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Related Compounds

hexakis(bis(2-ethylhexoxy)-sulfanylidene-sulfido-λ5-phosphane);molybdenum
CID 22134484
hexakis(bis(2-ethylhexoxy)-sulfanylidene-sulfido-λ5-phosphane);molybdenum;sulfur monoxide
CID 173290359
CID 54607094
CID 54607094
bis[bis(2-ethylhexoxy)phosphinothioylsulfanyl]stibanylsulfanyl-bis(2-ethylhexoxy)-sulfanylidene-λ5-phosphane
CID 164511717
3-[[2-ethylhexoxy(methyl)phosphoryl]oxymethyl]heptane
CID 566100
2-ethylhexoxy-(2-ethylhexylsulfanyl)-hydroxy-sulfanylidene-λ5-phosphane
CID 22062721
(3R)-3-[[(2R)-2-ethylhexoxy]methyl]heptane
CID 91827254
bis(2-ethylhexyl) phosphate;cobalt
CID 174438001
tris(bis(2-ethylhexyl) phosphate);lanthanum(3+)
CID 18461867
CID 87184341
CID 87184341
magnesium bis(2-ethylhexyl) phosphate
CID 23071492
CID 131883274
CID 131883274

Frequently Asked Questions

What is the IUPAC name of tetrakis(bis(2-ethylhexoxy)-sulfanylidene-sulfido-lambda5-phosphane);molybdenum(4+)?
The IUPAC name of tetrakis(bis(2-ethylhexoxy)-sulfanylidene-sulfido-lambda5-phosphane);molybdenum(4+) (CID 14251929) is tetrakis(bis(2-ethylhexoxy)-sulfanylidene-sulfido-lambda5-phosphane);molybdenum(4+).
What is the SMILES notation for tetrakis(bis(2-ethylhexoxy)-sulfanylidene-sulfido-lambda5-phosphane);molybdenum(4+)?
The canonical SMILES for tetrakis(bis(2-ethylhexoxy)-sulfanylidene-sulfido-lambda5-phosphane);molybdenum(4+) is CCCCC(CC)COP(=S)([S-])OCC(CC)CCCC.CCCCC(CC)COP(=S)([S-])OCC(CC)CCCC.CCCCC(CC)COP(=S)([S-])OCC(CC)CCCC.CCCCC(CC)COP(=S)([S-])OCC(CC)CCCC.[Mo+4].
What is the InChIKey of tetrakis(bis(2-ethylhexoxy)-sulfanylidene-sulfido-lambda5-phosphane);molybdenum(4+)?
The InChIKey is IGQZZFRJXSNEPQ-UHFFFAOYSA-J. The full InChI is InChI=1S/4C16H35O2PS2.Mo/c4*1-5-9-11-15(7-3)13-17-19(20,21)18-14-16(8-4)12-10-6-2;/h4*15-16H,5-14H2,1-4H3,(H,20,21);/q;;;;+4/p-4.
What are the key properties of tetrakis(bis(2-ethylhexoxy)-sulfanylidene-sulfido-lambda5-phosphane);molybdenum(4+)?
tetrakis(bis(2-ethylhexoxy)-sulfanylidene-sulfido-lambda5-phosphane);molybdenum(4+) has a molecular weight of 1510.16 g/mol, XLogP of 24.89, 56 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(bis(2-ethylhexoxy)-sulfanylidene-sulfido-lambda5-phosphane);molybdenum(4+) is sourced from PubChem (CID 14251929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).