tetrakis(dioctoxy-sulfanylidene-sulfido-λ5-phosphane);molybdenum(4+)

C64H136MoO8P4S8 — CID 174201845

IUPACtetrakis(dioctoxy-sulfanylidene-sulfido-λ5-phosphane);molybdenum(4+)
SMILESCCCCCCCCOP(=S)([S-])OCCCCCCCC.CCCCCCCCOP(=S)([S-])OCCCCCCCC.CCCCCCCCOP(=S)([S-])OCCCCCCCC.CCCCCCCCOP(=S)([S-])OCCCCCCCC.[Mo+4]
InChIInChI=1S/4C16H35O2PS2.Mo/c4*1-3-5-7-9-11-13-15-17-19(20,21)18-16-14-12-10-8-6-4-2;/h4*3-16H2,1-2H3,(H,20,21);/q;;;;+4/p-4
InChIKeyKOUCDXBPTVYKCA-UHFFFAOYSA-J
MW1510.16 g/mol
LogP26.05
Rot. Bonds64

About tetrakis(dioctoxy-sulfanylidene-sulfido-λ5-phosphane);molybdenum(4+)

tetrakis(dioctoxy-sulfanylidene-sulfido-λ5-phosphane);molybdenum(4+) (PubChem CID 174201845) has the molecular formula C64H136MoO8P4S8 and a molecular weight of 1510.16 g/mol. Its IUPAC name is tetrakis(dioctoxy-sulfanylidene-sulfido-λ5-phosphane);molybdenum(4+).

Molecular Properties

Compound Nametetrakis(dioctoxy-sulfanylidene-sulfido-λ5-phosphane);molybdenum(4+)
PubChem CID174201845
Molecular FormulaC64H136MoO8P4S8
Molecular Weight1510.16 g/mol
Exact Mass1510.60
IUPAC Nametetrakis(dioctoxy-sulfanylidene-sulfido-λ5-phosphane);molybdenum(4+)
SMILESCCCCCCCCOP(=S)([S-])OCCCCCCCC.CCCCCCCCOP(=S)([S-])OCCCCCCCC.CCCCCCCCOP(=S)([S-])OCCCCCCCC.CCCCCCCCOP(=S)([S-])OCCCCCCCC.[Mo+4]
InChIInChI=1S/4C16H35O2PS2.Mo/c4*1-3-5-7-9-11-13-15-17-19(20,21)18-16-14-12-10-8-6-4-2;/h4*3-16H2,1-2H3,(H,20,21);/q;;;;+4/p-4
InChIKeyKOUCDXBPTVYKCA-UHFFFAOYSA-J
XLogP26.05
TPSA73.84 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds64
Heavy Atoms85
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001510.16
LogP ≤ 526.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

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
potassium dihexoxy-sulfanylidene-sulfido-lambda5-phosphane
CID 18679
calcium bis(dihexoxy-sulfanylidene-sulfido-λ5-phosphane)
CID 87237721
tetrakis(dihexoxy-sulfanylidene-sulfido-λ5-phosphane);oxomolybdenum(4+)
CID 22360040
hexakis(didecoxy-sulfanylidene-sulfido-λ5-phosphane);molybdenum;sulfur monoxide
CID 173026472
di(nonoxy)-sulfanyl-sulfanylidene-λ5-phosphane
CID 3816158
CID 158562006
CID 158562006
dodecoxy-bis(sulfanyl)-sulfanylidene-λ5-phosphane
CID 21217451
octadecoxy-bis(sulfanyl)-sulfanylidene-λ5-phosphane
CID 21217594
azane;tripentoxy(sulfanylidene)-λ5-phosphane
CID 88758051
barium(2+);diheptoxy-sulfanyl-sulfanylidene-λ5-phosphane;hydride
CID 174264206
butoxy-octoxy-sulfanyl-sulfanylidene-λ5-phosphane;zinc
CID 174854596

Frequently Asked Questions

What is the IUPAC name of tetrakis(dioctoxy-sulfanylidene-sulfido-λ5-phosphane);molybdenum(4+)?
The IUPAC name of tetrakis(dioctoxy-sulfanylidene-sulfido-λ5-phosphane);molybdenum(4+) (CID 174201845) is tetrakis(dioctoxy-sulfanylidene-sulfido-λ5-phosphane);molybdenum(4+).
What is the SMILES notation for tetrakis(dioctoxy-sulfanylidene-sulfido-λ5-phosphane);molybdenum(4+)?
The canonical SMILES for tetrakis(dioctoxy-sulfanylidene-sulfido-λ5-phosphane);molybdenum(4+) is CCCCCCCCOP(=S)([S-])OCCCCCCCC.CCCCCCCCOP(=S)([S-])OCCCCCCCC.CCCCCCCCOP(=S)([S-])OCCCCCCCC.CCCCCCCCOP(=S)([S-])OCCCCCCCC.[Mo+4].
What is the InChIKey of tetrakis(dioctoxy-sulfanylidene-sulfido-λ5-phosphane);molybdenum(4+)?
The InChIKey is KOUCDXBPTVYKCA-UHFFFAOYSA-J. The full InChI is InChI=1S/4C16H35O2PS2.Mo/c4*1-3-5-7-9-11-13-15-17-19(20,21)18-16-14-12-10-8-6-4-2;/h4*3-16H2,1-2H3,(H,20,21);/q;;;;+4/p-4.
What are the key properties of tetrakis(dioctoxy-sulfanylidene-sulfido-λ5-phosphane);molybdenum(4+)?
tetrakis(dioctoxy-sulfanylidene-sulfido-λ5-phosphane);molybdenum(4+) has a molecular weight of 1510.16 g/mol, XLogP of 26.05, 64 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(dioctoxy-sulfanylidene-sulfido-λ5-phosphane);molybdenum(4+) is sourced from PubChem (CID 174201845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).