carbanide;bis([dimethanidyl(diphenyl)-λ5-phosphanyl] N,N-dimethylcarbamodithioate);gold;gold(3+)

C35H43Au2N2P2S4-2 — CID 134901873

IUPACcarbanide;bis([dimethanidyl(diphenyl)-λ5-phosphanyl] N,N-dimethylcarbamodithioate);gold;gold(3+)
SMILES[Au+3].[Au].[CH2-]P([CH2-])(SC(=S)N(C)C)(c1ccccc1)c1ccccc1.[CH2-]P([CH2-])(SC(=S)N(C)C)(c1ccccc1)c1ccccc1.[CH3-]
InChIInChI=1S/2C17H20NPS2.CH3.2Au/c2*1-18(2)17(20)21-19(3,4,15-11-7-5-8-12-15)16-13-9-6-10-14-16;;;/h2*5-14H,3-4H2,1-2H3;1H3;;/q2*-2;-1;;+3
InChIKeyGFQNKWYUGGAICE-UHFFFAOYSA-N
MW1075.89 g/mol
LogP8.98
Rot. Bonds6

About carbanide;bis([dimethanidyl(diphenyl)-λ5-phosphanyl] N,N-dimethylcarbamodithioate);gold;gold(3+)

carbanide;bis([dimethanidyl(diphenyl)-λ5-phosphanyl] N,N-dimethylcarbamodithioate);gold;gold(3+) (PubChem CID 134901873) has the molecular formula C35H43Au2N2P2S4-2 and a molecular weight of 1075.89 g/mol. Its IUPAC name is carbanide;bis([dimethanidyl(diphenyl)-λ5-phosphanyl] N,N-dimethylcarbamodithioate);gold;gold(3+).

Molecular Properties

Compound Namecarbanide;bis([dimethanidyl(diphenyl)-λ5-phosphanyl] N,N-dimethylcarbamodithioate);gold;gold(3+)
PubChem CID134901873
Molecular FormulaC35H43Au2N2P2S4-2
Molecular Weight1075.89 g/mol
Exact Mass1075.11
IUPAC Namecarbanide;bis([dimethanidyl(diphenyl)-λ5-phosphanyl] N,N-dimethylcarbamodithioate);gold;gold(3+)
SMILES[Au+3].[Au].[CH2-]P([CH2-])(SC(=S)N(C)C)(c1ccccc1)c1ccccc1.[CH2-]P([CH2-])(SC(=S)N(C)C)(c1ccccc1)c1ccccc1.[CH3-]
InChIInChI=1S/2C17H20NPS2.CH3.2Au/c2*1-18(2)17(20)21-19(3,4,15-11-7-5-8-12-15)16-13-9-6-10-14-16;;;/h2*5-14H,3-4H2,1-2H3;1H3;;/q2*-2;-1;;+3
InChIKeyGFQNKWYUGGAICE-UHFFFAOYSA-N
XLogP8.98
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001075.89
LogP ≤ 58.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

bis([dimethanidyl(diphenyl)-λ5-phosphanyl] N,N-dimethylcarbamodithioate);gold
CID 134901207
phenyl N,N-dimethylcarbamodithioate
CID 11063386
diphenylstibanyl N,N-dimethylcarbamodithioate
CID 16683311
carbanide;gold;gold(3+);bis(iodo-dimethanidyl-diphenyl-λ5-phosphane)
CID 135046201
dimethylcarbamothioyl N,N-dimethylcarbamodithioate;1-phenylcyclohexan-1-ol
CID 174917912
ethane;trihydroxy(diphenyl)-λ5-phosphane
CID 159842008
(2-methylphenyl) N,N-dimethylcarbamodithioate
CID 15103810
CID 102272547
CID 102272547
(2-chloronaphthalen-1-yl) N,N-dimethylcarbamodithioate
CID 88758317
[benzyl(methyl)carbamothioyl] N-benzyl-N-methylcarbamodithioate
CID 134917372
[(1R)-2-(1H-indol-3-yl)-2-oxo-1-phenylethyl] N,N-dimethylcarbamodithioate
CID 7554680
phenyl N,N-difluorocarbamodithioate
CID 87641892

Frequently Asked Questions

What is the IUPAC name of carbanide;bis([dimethanidyl(diphenyl)-λ5-phosphanyl] N,N-dimethylcarbamodithioate);gold;gold(3+)?
The IUPAC name of carbanide;bis([dimethanidyl(diphenyl)-λ5-phosphanyl] N,N-dimethylcarbamodithioate);gold;gold(3+) (CID 134901873) is carbanide;bis([dimethanidyl(diphenyl)-λ5-phosphanyl] N,N-dimethylcarbamodithioate);gold;gold(3+).
What is the SMILES notation for carbanide;bis([dimethanidyl(diphenyl)-λ5-phosphanyl] N,N-dimethylcarbamodithioate);gold;gold(3+)?
The canonical SMILES for carbanide;bis([dimethanidyl(diphenyl)-λ5-phosphanyl] N,N-dimethylcarbamodithioate);gold;gold(3+) is [Au+3].[Au].[CH2-]P([CH2-])(SC(=S)N(C)C)(c1ccccc1)c1ccccc1.[CH2-]P([CH2-])(SC(=S)N(C)C)(c1ccccc1)c1ccccc1.[CH3-].
What is the InChIKey of carbanide;bis([dimethanidyl(diphenyl)-λ5-phosphanyl] N,N-dimethylcarbamodithioate);gold;gold(3+)?
The InChIKey is GFQNKWYUGGAICE-UHFFFAOYSA-N. The full InChI is InChI=1S/2C17H20NPS2.CH3.2Au/c2*1-18(2)17(20)21-19(3,4,15-11-7-5-8-12-15)16-13-9-6-10-14-16;;;/h2*5-14H,3-4H2,1-2H3;1H3;;/q2*-2;-1;;+3.
What are the key properties of carbanide;bis([dimethanidyl(diphenyl)-λ5-phosphanyl] N,N-dimethylcarbamodithioate);gold;gold(3+)?
carbanide;bis([dimethanidyl(diphenyl)-λ5-phosphanyl] N,N-dimethylcarbamodithioate);gold;gold(3+) has a molecular weight of 1075.89 g/mol, XLogP of 8.98, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;bis([dimethanidyl(diphenyl)-λ5-phosphanyl] N,N-dimethylcarbamodithioate);gold;gold(3+) is sourced from PubChem (CID 134901873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).