tetrakis(N,N-di(tetradecyl)carbamodithioate);molybdenum(4+)

C116H232MoN4S8 — CID 139855060

IUPACtetrakis(N,N-di(tetradecyl)carbamodithioate);molybdenum(4+)
SMILESCCCCCCCCCCCCCCN(CCCCCCCCCCCCCC)C(=S)[S-].CCCCCCCCCCCCCCN(CCCCCCCCCCCCCC)C(=S)[S-].CCCCCCCCCCCCCCN(CCCCCCCCCCCCCC)C(=S)[S-].CCCCCCCCCCCCCCN(CCCCCCCCCCCCCC)C(=S)[S-].[Mo+4]
InChIInChI=1S/4C29H59NS2.Mo/c4*1-3-5-7-9-11-13-15-17-19-21-23-25-27-30(29(31)32)28-26-24-22-20-18-16-14-12-10-8-6-4-2;/h4*3-28H2,1-2H3,(H,31,32);/q;;;;+4/p-4
InChIKeyCXPZPULPLDMHBQ-UHFFFAOYSA-J
MW2035.64 g/mol
LogP42.09
Rot. Bonds104

About tetrakis(N,N-di(tetradecyl)carbamodithioate);molybdenum(4+)

tetrakis(N,N-di(tetradecyl)carbamodithioate);molybdenum(4+) (PubChem CID 139855060) has the molecular formula C116H232MoN4S8 and a molecular weight of 2035.64 g/mol. Its IUPAC name is tetrakis(N,N-di(tetradecyl)carbamodithioate);molybdenum(4+).

Molecular Properties

Compound Nametetrakis(N,N-di(tetradecyl)carbamodithioate);molybdenum(4+)
PubChem CID139855060
Molecular FormulaC116H232MoN4S8
Molecular Weight2035.64 g/mol
Exact Mass2035.51
IUPAC Nametetrakis(N,N-di(tetradecyl)carbamodithioate);molybdenum(4+)
SMILESCCCCCCCCCCCCCCN(CCCCCCCCCCCCCC)C(=S)[S-].CCCCCCCCCCCCCCN(CCCCCCCCCCCCCC)C(=S)[S-].CCCCCCCCCCCCCCN(CCCCCCCCCCCCCC)C(=S)[S-].CCCCCCCCCCCCCCN(CCCCCCCCCCCCCC)C(=S)[S-].[Mo+4]
InChIInChI=1S/4C29H59NS2.Mo/c4*1-3-5-7-9-11-13-15-17-19-21-23-25-27-30(29(31)32)28-26-24-22-20-18-16-14-12-10-8-6-4-2;/h4*3-28H2,1-2H3,(H,31,32);/q;;;;+4/p-4
InChIKeyCXPZPULPLDMHBQ-UHFFFAOYSA-J
XLogP42.09
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds104
Heavy Atoms129
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002035.64
LogP ≤ 542.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

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CID 141332595
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CID 22164562
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CID 18926193
sodium N,N-dihexylcarbamodithioate
CID 23671974
bis(N,N-dipentylcarbamodithioate);zinc
CID 3544047
hexakis(N,N-di(tridecyl)carbamodithioate);molybdenum;sulfur monoxide
CID 19708628
tetrakis(N,N-didecylcarbamodithioate);tris(oxomolybdenum(4+));tetrasulfide
CID 22989162
Bis(dibutyldithiocarbamato-S,S')copper
CID 156614044
cerium(3+);tris(N,N-dibutylcarbamodithioate)
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bis(N,N-dibutylcarbamodithioate);nickel(2+)
CID 4523766
N,N-dibutylcarbamodithioate;ethane;nickel(2+)
CID 162055102
zinc;2-(dipentylamino)ethanedithioate;N,N-dipentylcarbamodithioate
CID 523463

Frequently Asked Questions

What is the IUPAC name of tetrakis(N,N-di(tetradecyl)carbamodithioate);molybdenum(4+)?
The IUPAC name of tetrakis(N,N-di(tetradecyl)carbamodithioate);molybdenum(4+) (CID 139855060) is tetrakis(N,N-di(tetradecyl)carbamodithioate);molybdenum(4+).
What is the SMILES notation for tetrakis(N,N-di(tetradecyl)carbamodithioate);molybdenum(4+)?
The canonical SMILES for tetrakis(N,N-di(tetradecyl)carbamodithioate);molybdenum(4+) is CCCCCCCCCCCCCCN(CCCCCCCCCCCCCC)C(=S)[S-].CCCCCCCCCCCCCCN(CCCCCCCCCCCCCC)C(=S)[S-].CCCCCCCCCCCCCCN(CCCCCCCCCCCCCC)C(=S)[S-].CCCCCCCCCCCCCCN(CCCCCCCCCCCCCC)C(=S)[S-].[Mo+4].
What is the InChIKey of tetrakis(N,N-di(tetradecyl)carbamodithioate);molybdenum(4+)?
The InChIKey is CXPZPULPLDMHBQ-UHFFFAOYSA-J. The full InChI is InChI=1S/4C29H59NS2.Mo/c4*1-3-5-7-9-11-13-15-17-19-21-23-25-27-30(29(31)32)28-26-24-22-20-18-16-14-12-10-8-6-4-2;/h4*3-28H2,1-2H3,(H,31,32);/q;;;;+4/p-4.
What are the key properties of tetrakis(N,N-di(tetradecyl)carbamodithioate);molybdenum(4+)?
tetrakis(N,N-di(tetradecyl)carbamodithioate);molybdenum(4+) has a molecular weight of 2035.64 g/mol, XLogP of 42.09, 104 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(N,N-di(tetradecyl)carbamodithioate);molybdenum(4+) is sourced from PubChem (CID 139855060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).