diethylcarbamothioylsulfanylmethyl N,N-diethylcarbamodithioate

C11H22N2S4 — CID 606562

IUPACdiethylcarbamothioylsulfanylmethyl N,N-diethylcarbamodithioate
SMILESCCN(CC)C(=S)SCSC(=S)N(CC)CC
InChIInChI=1S/C11H22N2S4/c1-5-12(6-2)10(14)16-9-17-11(15)13(7-3)8-4/h5-9H2,1-4H3
InChIKeyGEKMQLNEANPVFN-UHFFFAOYSA-N
MW310.58 g/mol
LogP3.66
Rot. Bonds6

About diethylcarbamothioylsulfanylmethyl N,N-diethylcarbamodithioate

diethylcarbamothioylsulfanylmethyl N,N-diethylcarbamodithioate (PubChem CID 606562) has the molecular formula C11H22N2S4 and a molecular weight of 310.58 g/mol. Its IUPAC name is diethylcarbamothioylsulfanylmethyl N,N-diethylcarbamodithioate.

Molecular Properties

Compound Namediethylcarbamothioylsulfanylmethyl N,N-diethylcarbamodithioate
PubChem CID606562
Molecular FormulaC11H22N2S4
Molecular Weight310.58 g/mol
Exact Mass310.07
IUPAC Namediethylcarbamothioylsulfanylmethyl N,N-diethylcarbamodithioate
SMILESCCN(CC)C(=S)SCSC(=S)N(CC)CC
InChIInChI=1S/C11H22N2S4/c1-5-12(6-2)10(14)16-9-17-11(15)13(7-3)8-4/h5-9H2,1-4H3
InChIKeyGEKMQLNEANPVFN-UHFFFAOYSA-N
XLogP3.66
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.58
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of diethylcarbamothioylsulfanylmethyl N,N-diethylcarbamodithioate?
The IUPAC name of diethylcarbamothioylsulfanylmethyl N,N-diethylcarbamodithioate (CID 606562) is diethylcarbamothioylsulfanylmethyl N,N-diethylcarbamodithioate.
What is the SMILES notation for diethylcarbamothioylsulfanylmethyl N,N-diethylcarbamodithioate?
The canonical SMILES for diethylcarbamothioylsulfanylmethyl N,N-diethylcarbamodithioate is CCN(CC)C(=S)SCSC(=S)N(CC)CC.
What is the InChIKey of diethylcarbamothioylsulfanylmethyl N,N-diethylcarbamodithioate?
The InChIKey is GEKMQLNEANPVFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2S4/c1-5-12(6-2)10(14)16-9-17-11(15)13(7-3)8-4/h5-9H2,1-4H3.
What are the key properties of diethylcarbamothioylsulfanylmethyl N,N-diethylcarbamodithioate?
diethylcarbamothioylsulfanylmethyl N,N-diethylcarbamodithioate has a molecular weight of 310.58 g/mol, XLogP of 3.66, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for diethylcarbamothioylsulfanylmethyl N,N-diethylcarbamodithioate is sourced from PubChem (CID 606562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).