diethylcarbamothioylsulfanyl N,N-diethylcarbamodithioate;gold

C10H20AuN2S4 — CID 87918592

IUPACdiethylcarbamothioylsulfanyl N,N-diethylcarbamodithioate;gold
SMILESCCN(CC)C(=S)SSC(=S)N(CC)CC.[Au]
InChIInChI=1S/C10H20N2S4.Au/c1-5-11(6-2)9(13)15-16-10(14)12(7-3)8-4;/h5-8H2,1-4H3;
InChIKeyNZFYLMVQVLSFMF-UHFFFAOYSA-N
MW493.52 g/mol
LogP3.62
Rot. Bonds4

About diethylcarbamothioylsulfanyl N,N-diethylcarbamodithioate;gold

diethylcarbamothioylsulfanyl N,N-diethylcarbamodithioate;gold (PubChem CID 87918592) has the molecular formula C10H20AuN2S4 and a molecular weight of 493.52 g/mol. Its IUPAC name is diethylcarbamothioylsulfanyl N,N-diethylcarbamodithioate;gold.

Molecular Properties

Compound Namediethylcarbamothioylsulfanyl N,N-diethylcarbamodithioate;gold
PubChem CID87918592
Molecular FormulaC10H20AuN2S4
Molecular Weight493.52 g/mol
Exact Mass493.02
IUPAC Namediethylcarbamothioylsulfanyl N,N-diethylcarbamodithioate;gold
SMILESCCN(CC)C(=S)SSC(=S)N(CC)CC.[Au]
InChIInChI=1S/C10H20N2S4.Au/c1-5-11(6-2)9(13)15-16-10(14)12(7-3)8-4;/h5-8H2,1-4H3;
InChIKeyNZFYLMVQVLSFMF-UHFFFAOYSA-N
XLogP3.62
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.52
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of diethylcarbamothioylsulfanyl N,N-diethylcarbamodithioate;gold?
The IUPAC name of diethylcarbamothioylsulfanyl N,N-diethylcarbamodithioate;gold (CID 87918592) is diethylcarbamothioylsulfanyl N,N-diethylcarbamodithioate;gold.
What is the SMILES notation for diethylcarbamothioylsulfanyl N,N-diethylcarbamodithioate;gold?
The canonical SMILES for diethylcarbamothioylsulfanyl N,N-diethylcarbamodithioate;gold is CCN(CC)C(=S)SSC(=S)N(CC)CC.[Au].
What is the InChIKey of diethylcarbamothioylsulfanyl N,N-diethylcarbamodithioate;gold?
The InChIKey is NZFYLMVQVLSFMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2S4.Au/c1-5-11(6-2)9(13)15-16-10(14)12(7-3)8-4;/h5-8H2,1-4H3;.
What are the key properties of diethylcarbamothioylsulfanyl N,N-diethylcarbamodithioate;gold?
diethylcarbamothioylsulfanyl N,N-diethylcarbamodithioate;gold has a molecular weight of 493.52 g/mol, XLogP of 3.62, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for diethylcarbamothioylsulfanyl N,N-diethylcarbamodithioate;gold is sourced from PubChem (CID 87918592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).