diethylcarbamothioylsulfanyl N,N-diethylcarbamodithioate

C10H20N2S4 — CID 3117

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IUPACdiethylcarbamothioylsulfanyl N,N-diethylcarbamodithioate
SMILESCCN(CC)C(=S)SSC(=S)N(CC)CC
InChIInChI=1S/C10H20N2S4/c1-5-11(6-2)9(13)15-16-10(14)12(7-3)8-4/h5-8H2,1-4H3
InChIKeyAUZONCFQVSMFAP-UHFFFAOYSA-N
MW296.55 g/mol
LogP3.62
Rot. Bonds4

About diethylcarbamothioylsulfanyl N,N-diethylcarbamodithioate

diethylcarbamothioylsulfanyl N,N-diethylcarbamodithioate (PubChem CID 3117) has the molecular formula C10H20N2S4 and a molecular weight of 296.55 g/mol. Its IUPAC name is diethylcarbamothioylsulfanyl N,N-diethylcarbamodithioate.

Molecular Properties

Compound Namediethylcarbamothioylsulfanyl N,N-diethylcarbamodithioate
PubChem CID3117
Molecular FormulaC10H20N2S4
Molecular Weight296.55 g/mol
Exact Mass296.05
IUPAC Namediethylcarbamothioylsulfanyl N,N-diethylcarbamodithioate
SMILESCCN(CC)C(=S)SSC(=S)N(CC)CC
InChIInChI=1S/C10H20N2S4/c1-5-11(6-2)9(13)15-16-10(14)12(7-3)8-4/h5-8H2,1-4H3
InChIKeyAUZONCFQVSMFAP-UHFFFAOYSA-N
XLogP3.62
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.55
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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Related Compounds

Zinc Diethyldithiocarbamate
CID 26633
Sulfiram
CID 7215
Cadmium, bis(diethyldithiocarbamato)-
CID 5284357
N,N,N',N'-Tetraisopropylthiuram disulfide
CID 95876
Tetrapropylthiuram disulfide
CID 17368
Bis(diethyldithiocarbamato)copper
CID 26180
Bis(diethyldithiocarbamato-S,S')nickel
CID 84307
Bis(diethyldithiocarbamato-S,S')lead
CID 28593
N,N,6-triethyl-5-thioxo-2,4-dithia-3-selena-6-azaoctanethioamide
CID 4091432
Iron diethyldithiocarbamate
CID 84123
Bis(diethyldithiocarbamato)dioxomolybdenum(VI)
CID 10960858
Zinc diisopropyldithiocarbamate
CID 457866

Frequently Asked Questions

What is the IUPAC name of diethylcarbamothioylsulfanyl N,N-diethylcarbamodithioate?
The IUPAC name of diethylcarbamothioylsulfanyl N,N-diethylcarbamodithioate (CID 3117) is diethylcarbamothioylsulfanyl N,N-diethylcarbamodithioate.
What is the SMILES notation for diethylcarbamothioylsulfanyl N,N-diethylcarbamodithioate?
The canonical SMILES for diethylcarbamothioylsulfanyl N,N-diethylcarbamodithioate is CCN(CC)C(=S)SSC(=S)N(CC)CC.
What is the InChIKey of diethylcarbamothioylsulfanyl N,N-diethylcarbamodithioate?
The InChIKey is AUZONCFQVSMFAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2S4/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?
diethylcarbamothioylsulfanyl N,N-diethylcarbamodithioate has a molecular weight of 296.55 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 is sourced from PubChem (CID 3117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).