diethylcarbamothioyl N,N-diethylcarbamodithioate

C10H20N2S3 — CID 7215

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IUPACdiethylcarbamothioyl N,N-diethylcarbamodithioate
SMILESCCN(CC)C(=S)SC(=S)N(CC)CC
InChIInChI=1S/C10H20N2S3/c1-5-11(6-2)9(13)15-10(14)12(7-3)8-4/h5-8H2,1-4H3
InChIKeyCTPKSRZFJSJGML-UHFFFAOYSA-N
MW264.48 g/mol
LogP2.97
Rot. Bonds4

About diethylcarbamothioyl N,N-diethylcarbamodithioate

diethylcarbamothioyl N,N-diethylcarbamodithioate (PubChem CID 7215) has the molecular formula C10H20N2S3 and a molecular weight of 264.48 g/mol. Its IUPAC name is diethylcarbamothioyl N,N-diethylcarbamodithioate.

Molecular Properties

Compound Namediethylcarbamothioyl N,N-diethylcarbamodithioate
PubChem CID7215
Molecular FormulaC10H20N2S3
Molecular Weight264.48 g/mol
Exact Mass264.08
IUPAC Namediethylcarbamothioyl N,N-diethylcarbamodithioate
SMILESCCN(CC)C(=S)SC(=S)N(CC)CC
InChIInChI=1S/C10H20N2S3/c1-5-11(6-2)9(13)15-10(14)12(7-3)8-4/h5-8H2,1-4H3
InChIKeyCTPKSRZFJSJGML-UHFFFAOYSA-N
XLogP2.97
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.48
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Disulfiram
CID 3117
Zinc Diethyldithiocarbamate
CID 26633
Cadmium, bis(diethyldithiocarbamato)-
CID 5284357
Methyl N,N-diethyldithiocarbamate
CID 12704
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
Methylenebis(N,N-diethyldithiocarbamate)
CID 606562
Tris(diethyldithiocarbamato)iron
CID 575839
bis(diethylcarbamothioylsulfanyl)bismuthanyl N,N-diethylcarbamodithioate
CID 273108

Frequently Asked Questions

What is the IUPAC name of diethylcarbamothioyl N,N-diethylcarbamodithioate?
The IUPAC name of diethylcarbamothioyl N,N-diethylcarbamodithioate (CID 7215) is diethylcarbamothioyl N,N-diethylcarbamodithioate.
What is the SMILES notation for diethylcarbamothioyl N,N-diethylcarbamodithioate?
The canonical SMILES for diethylcarbamothioyl N,N-diethylcarbamodithioate is CCN(CC)C(=S)SC(=S)N(CC)CC.
What is the InChIKey of diethylcarbamothioyl N,N-diethylcarbamodithioate?
The InChIKey is CTPKSRZFJSJGML-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2S3/c1-5-11(6-2)9(13)15-10(14)12(7-3)8-4/h5-8H2,1-4H3.
What are the key properties of diethylcarbamothioyl N,N-diethylcarbamodithioate?
diethylcarbamothioyl N,N-diethylcarbamodithioate has a molecular weight of 264.48 g/mol, XLogP of 2.97, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for diethylcarbamothioyl N,N-diethylcarbamodithioate is sourced from PubChem (CID 7215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).