diethylcarbamothioylsulfanylselanyl N,N-diethylcarbamodithioate

C10H20N2S4Se — CID 4091432

IUPACdiethylcarbamothioylsulfanylselanyl N,N-diethylcarbamodithioate
SMILESCCN(CC)C(=S)S[Se]SC(=S)N(CC)CC
InChIInChI=1S/C10H20N2S4Se/c1-5-11(6-2)9(13)15-17-16-10(14)12(7-3)8-4/h5-8H2,1-4H3
InChIKeyRLULIUSIDLLCSW-UHFFFAOYSA-N
MW375.51 g/mol
LogP3.24
Rot. Bonds6

About diethylcarbamothioylsulfanylselanyl N,N-diethylcarbamodithioate

diethylcarbamothioylsulfanylselanyl N,N-diethylcarbamodithioate (PubChem CID 4091432) has the molecular formula C10H20N2S4Se and a molecular weight of 375.51 g/mol. Its IUPAC name is diethylcarbamothioylsulfanylselanyl N,N-diethylcarbamodithioate.

Molecular Properties

Compound Namediethylcarbamothioylsulfanylselanyl N,N-diethylcarbamodithioate
PubChem CID4091432
Molecular FormulaC10H20N2S4Se
Molecular Weight375.51 g/mol
Exact Mass375.97
IUPAC Namediethylcarbamothioylsulfanylselanyl N,N-diethylcarbamodithioate
SMILESCCN(CC)C(=S)S[Se]SC(=S)N(CC)CC
InChIInChI=1S/C10H20N2S4Se/c1-5-11(6-2)9(13)15-17-16-10(14)12(7-3)8-4/h5-8H2,1-4H3
InChIKeyRLULIUSIDLLCSW-UHFFFAOYSA-N
XLogP3.24
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.51
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of diethylcarbamothioylsulfanylselanyl N,N-diethylcarbamodithioate?
The IUPAC name of diethylcarbamothioylsulfanylselanyl N,N-diethylcarbamodithioate (CID 4091432) is diethylcarbamothioylsulfanylselanyl N,N-diethylcarbamodithioate.
What is the SMILES notation for diethylcarbamothioylsulfanylselanyl N,N-diethylcarbamodithioate?
The canonical SMILES for diethylcarbamothioylsulfanylselanyl N,N-diethylcarbamodithioate is CCN(CC)C(=S)S[Se]SC(=S)N(CC)CC.
What is the InChIKey of diethylcarbamothioylsulfanylselanyl N,N-diethylcarbamodithioate?
The InChIKey is RLULIUSIDLLCSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2S4Se/c1-5-11(6-2)9(13)15-17-16-10(14)12(7-3)8-4/h5-8H2,1-4H3.
What are the key properties of diethylcarbamothioylsulfanylselanyl N,N-diethylcarbamodithioate?
diethylcarbamothioylsulfanylselanyl N,N-diethylcarbamodithioate has a molecular weight of 375.51 g/mol, XLogP of 3.24, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for diethylcarbamothioylsulfanylselanyl N,N-diethylcarbamodithioate is sourced from PubChem (CID 4091432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).