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

C34H40Au2N2P2S4-4 — CID 134901207

IUPACbis([dimethanidyl(diphenyl)-λ5-phosphanyl] N,N-dimethylcarbamodithioate);gold
SMILES[Au].[Au].[CH2-]P([CH2-])(SC(=S)N(C)C)(c1ccccc1)c1ccccc1.[CH2-]P([CH2-])(SC(=S)N(C)C)(c1ccccc1)c1ccccc1
InChIInChI=1S/2C17H20NPS2.2Au/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;;/q2*-2;;
InChIKeyDXGKSUDAMKSLOX-UHFFFAOYSA-N
MW1060.86 g/mol
LogP8.53
Rot. Bonds6

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

bis([dimethanidyl(diphenyl)-λ5-phosphanyl] N,N-dimethylcarbamodithioate);gold (PubChem CID 134901207) has the molecular formula C34H40Au2N2P2S4-4 and a molecular weight of 1060.86 g/mol. Its IUPAC name is bis([dimethanidyl(diphenyl)-λ5-phosphanyl] N,N-dimethylcarbamodithioate);gold.

Molecular Properties

Compound Namebis([dimethanidyl(diphenyl)-λ5-phosphanyl] N,N-dimethylcarbamodithioate);gold
PubChem CID134901207
Molecular FormulaC34H40Au2N2P2S4-4
Molecular Weight1060.86 g/mol
Exact Mass1060.09
IUPAC Namebis([dimethanidyl(diphenyl)-λ5-phosphanyl] N,N-dimethylcarbamodithioate);gold
SMILES[Au].[Au].[CH2-]P([CH2-])(SC(=S)N(C)C)(c1ccccc1)c1ccccc1.[CH2-]P([CH2-])(SC(=S)N(C)C)(c1ccccc1)c1ccccc1
InChIInChI=1S/2C17H20NPS2.2Au/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;;/q2*-2;;
InChIKeyDXGKSUDAMKSLOX-UHFFFAOYSA-N
XLogP8.53
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001060.86
LogP ≤ 58.53
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

carbanide;bis([dimethanidyl(diphenyl)-λ5-phosphanyl] N,N-dimethylcarbamodithioate);gold;gold(3+)
CID 134901873
phenyl N,N-dimethylcarbamodithioate
CID 11063386
diphenylstibanyl N,N-dimethylcarbamodithioate
CID 16683311
dimethylcarbamothioyl N,N-dimethylcarbamodithioate;1-phenylcyclohexan-1-ol
CID 174917912
(2-methylphenyl) N,N-dimethylcarbamodithioate
CID 15103810
ethane;trihydroxy(diphenyl)-λ5-phosphane
CID 159842008
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
N-methyl-N-phenylsulfanylhydroxylamine
CID 126575432

Frequently Asked Questions

What is the IUPAC name of bis([dimethanidyl(diphenyl)-λ5-phosphanyl] N,N-dimethylcarbamodithioate);gold?
The IUPAC name of bis([dimethanidyl(diphenyl)-λ5-phosphanyl] N,N-dimethylcarbamodithioate);gold (CID 134901207) is bis([dimethanidyl(diphenyl)-λ5-phosphanyl] N,N-dimethylcarbamodithioate);gold.
What is the SMILES notation for bis([dimethanidyl(diphenyl)-λ5-phosphanyl] N,N-dimethylcarbamodithioate);gold?
The canonical SMILES for bis([dimethanidyl(diphenyl)-λ5-phosphanyl] N,N-dimethylcarbamodithioate);gold is [Au].[Au].[CH2-]P([CH2-])(SC(=S)N(C)C)(c1ccccc1)c1ccccc1.[CH2-]P([CH2-])(SC(=S)N(C)C)(c1ccccc1)c1ccccc1.
What is the InChIKey of bis([dimethanidyl(diphenyl)-λ5-phosphanyl] N,N-dimethylcarbamodithioate);gold?
The InChIKey is DXGKSUDAMKSLOX-UHFFFAOYSA-N. The full InChI is InChI=1S/2C17H20NPS2.2Au/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;;/q2*-2;;.
What are the key properties of bis([dimethanidyl(diphenyl)-λ5-phosphanyl] N,N-dimethylcarbamodithioate);gold?
bis([dimethanidyl(diphenyl)-λ5-phosphanyl] N,N-dimethylcarbamodithioate);gold has a molecular weight of 1060.86 g/mol, XLogP of 8.53, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis([dimethanidyl(diphenyl)-λ5-phosphanyl] N,N-dimethylcarbamodithioate);gold is sourced from PubChem (CID 134901207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).