hexakis(bis(2-ethylhexoxy)-sulfanylidene-sulfido-λ5-phosphane);molybdenum;sulfur monoxide

C96H204MoO13P6S13-6 — CID 173290359

IUPAChexakis(bis(2-ethylhexoxy)-sulfanylidene-sulfido-λ5-phosphane);molybdenum;sulfur monoxide
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.CCCCC(CC)COP(=S)([S-])OCC(CC)CCCC.CCCCC(CC)COP(=S)([S-])OCC(CC)CCCC.O=S.[Mo]
InChIInChI=1S/6C16H35O2PS2.Mo.OS/c6*1-5-9-11-15(7-3)13-17-19(20,21)18-14-16(8-4)12-10-6-2;;1-2/h6*15-16H,5-14H2,1-4H3,(H,20,21);;/p-6
InChIKeySFMCYVNSAAICQE-UHFFFAOYSA-H
MW2265.33 g/mol
LogP37.00
Rot. Bonds84

About hexakis(bis(2-ethylhexoxy)-sulfanylidene-sulfido-λ5-phosphane);molybdenum;sulfur monoxide

hexakis(bis(2-ethylhexoxy)-sulfanylidene-sulfido-λ5-phosphane);molybdenum;sulfur monoxide (PubChem CID 173290359) has the molecular formula C96H204MoO13P6S13-6 and a molecular weight of 2265.33 g/mol. Its IUPAC name is hexakis(bis(2-ethylhexoxy)-sulfanylidene-sulfido-λ5-phosphane);molybdenum;sulfur monoxide.

Molecular Properties

Compound Namehexakis(bis(2-ethylhexoxy)-sulfanylidene-sulfido-λ5-phosphane);molybdenum;sulfur monoxide
PubChem CID173290359
Molecular FormulaC96H204MoO13P6S13-6
Molecular Weight2265.33 g/mol
Exact Mass2264.92
IUPAC Namehexakis(bis(2-ethylhexoxy)-sulfanylidene-sulfido-λ5-phosphane);molybdenum;sulfur monoxide
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.CCCCC(CC)COP(=S)([S-])OCC(CC)CCCC.CCCCC(CC)COP(=S)([S-])OCC(CC)CCCC.O=S.[Mo]
InChIInChI=1S/6C16H35O2PS2.Mo.OS/c6*1-5-9-11-15(7-3)13-17-19(20,21)18-14-16(8-4)12-10-6-2;;1-2/h6*15-16H,5-14H2,1-4H3,(H,20,21);;/p-6
InChIKeySFMCYVNSAAICQE-UHFFFAOYSA-H
XLogP37.00
TPSA127.83 Ų
H-Bond Donors
H-Bond Acceptors26
Rotatable Bonds84
Heavy Atoms129
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002265.33
LogP ≤ 537.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1026

Computed Properties (RDKit)

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

Analyze hexakis(bis(2-ethylhexoxy)-sulfanylidene-sulfido-λ5-phosphane);molybdenum;sulfur monoxide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

hexakis(bis(2-ethylhexoxy)-sulfanylidene-sulfido-λ5-phosphane);molybdenum
CID 22134484
tetrakis(bis(2-ethylhexoxy)-sulfanylidene-sulfido-lambda5-phosphane);molybdenum(4+)
CID 14251929
CID 54607094
CID 54607094
3-[[2-ethylhexoxy(methyl)phosphoryl]oxymethyl]heptane
CID 566100
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
bis[bis(2-ethylhexoxy)phosphoryloxy]indiganyl bis(2-ethylhexyl) phosphate
CID 16704221
bis[bis(2-ethylhexoxy)phosphinothioylsulfanyl]stibanylsulfanyl-bis(2-ethylhexoxy)-sulfanylidene-λ5-phosphane
CID 164511717
sodium;2-ethylhexyl dihydrogen phosphate;hydride
CID 173063880

Frequently Asked Questions

What is the IUPAC name of hexakis(bis(2-ethylhexoxy)-sulfanylidene-sulfido-λ5-phosphane);molybdenum;sulfur monoxide?
The IUPAC name of hexakis(bis(2-ethylhexoxy)-sulfanylidene-sulfido-λ5-phosphane);molybdenum;sulfur monoxide (CID 173290359) is hexakis(bis(2-ethylhexoxy)-sulfanylidene-sulfido-λ5-phosphane);molybdenum;sulfur monoxide.
What is the SMILES notation for hexakis(bis(2-ethylhexoxy)-sulfanylidene-sulfido-λ5-phosphane);molybdenum;sulfur monoxide?
The canonical SMILES for hexakis(bis(2-ethylhexoxy)-sulfanylidene-sulfido-λ5-phosphane);molybdenum;sulfur monoxide 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.CCCCC(CC)COP(=S)([S-])OCC(CC)CCCC.CCCCC(CC)COP(=S)([S-])OCC(CC)CCCC.O=S.[Mo].
What is the InChIKey of hexakis(bis(2-ethylhexoxy)-sulfanylidene-sulfido-λ5-phosphane);molybdenum;sulfur monoxide?
The InChIKey is SFMCYVNSAAICQE-UHFFFAOYSA-H. The full InChI is InChI=1S/6C16H35O2PS2.Mo.OS/c6*1-5-9-11-15(7-3)13-17-19(20,21)18-14-16(8-4)12-10-6-2;;1-2/h6*15-16H,5-14H2,1-4H3,(H,20,21);;/p-6.
What are the key properties of hexakis(bis(2-ethylhexoxy)-sulfanylidene-sulfido-λ5-phosphane);molybdenum;sulfur monoxide?
hexakis(bis(2-ethylhexoxy)-sulfanylidene-sulfido-λ5-phosphane);molybdenum;sulfur monoxide has a molecular weight of 2265.33 g/mol, XLogP of 37.00, 84 rotatable bonds, 0 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for hexakis(bis(2-ethylhexoxy)-sulfanylidene-sulfido-λ5-phosphane);molybdenum;sulfur monoxide is sourced from PubChem (CID 173290359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).