O-(diethylcarbamothioyloxyselanyl) N,N-diethylcarbamothioate

C10H20N2O2S2Se — CID 140514476

IUPACO-(diethylcarbamothioyloxyselanyl) N,N-diethylcarbamothioate
SMILESCCN(CC)C(=S)O[Se]OC(=S)N(CC)CC
InChIInChI=1S/C10H20N2O2S2Se/c1-5-11(6-2)9(15)13-17-14-10(16)12(7-3)8-4/h5-8H2,1-4H3
InChIKeySPQAFWXPGAFRPP-UHFFFAOYSA-N
MW343.38 g/mol
LogP1.81
Rot. Bonds6

About O-(diethylcarbamothioyloxyselanyl) N,N-diethylcarbamothioate

O-(diethylcarbamothioyloxyselanyl) N,N-diethylcarbamothioate (PubChem CID 140514476) has the molecular formula C10H20N2O2S2Se and a molecular weight of 343.38 g/mol. Its IUPAC name is O-(diethylcarbamothioyloxyselanyl) N,N-diethylcarbamothioate.

Molecular Properties

Compound NameO-(diethylcarbamothioyloxyselanyl) N,N-diethylcarbamothioate
PubChem CID140514476
Molecular FormulaC10H20N2O2S2Se
Molecular Weight343.38 g/mol
Exact Mass344.01
IUPAC NameO-(diethylcarbamothioyloxyselanyl) N,N-diethylcarbamothioate
SMILESCCN(CC)C(=S)O[Se]OC(=S)N(CC)CC
InChIInChI=1S/C10H20N2O2S2Se/c1-5-11(6-2)9(15)13-17-14-10(16)12(7-3)8-4/h5-8H2,1-4H3
InChIKeySPQAFWXPGAFRPP-UHFFFAOYSA-N
XLogP1.81
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 51.81
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'}

Analyze O-(diethylcarbamothioyloxyselanyl) N,N-diethylcarbamothioate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,N-diethylpropanethioamide
CID 638150
O-(3-oxobutan-2-yl) N,N-diethylcarbamothioate
CID 88806151
O-[[4-(diethylcarbamothioyloxymethyl)phenyl]methyl] N,N-diethylcarbamothioate
CID 88619040
2-(diethylcarbamothioyloxy)ethyl-trimethylazanium
CID 88526633
ethyl(hydroxymethyl)carbamodithioic acid
CID 101457611
N,N-diethylcarbamodithioate
CID 28343
carbamic acid;carbamothioic S-acid;O-ethyl N,N-diethylcarbamothioate
CID 174420306
alumane;diethylcarbamodithioic acid
CID 174602064
diethylcarbamodithioic acid;lanthanum
CID 174709287
CID 171395735
CID 171395735
diethylcarbamodithioic acid;molybdenum
CID 159441063
tris(N,N-diethylcarbamodithioate);ruthenium(3+)
CID 101036652

Frequently Asked Questions

What is the IUPAC name of O-(diethylcarbamothioyloxyselanyl) N,N-diethylcarbamothioate?
The IUPAC name of O-(diethylcarbamothioyloxyselanyl) N,N-diethylcarbamothioate (CID 140514476) is O-(diethylcarbamothioyloxyselanyl) N,N-diethylcarbamothioate.
What is the SMILES notation for O-(diethylcarbamothioyloxyselanyl) N,N-diethylcarbamothioate?
The canonical SMILES for O-(diethylcarbamothioyloxyselanyl) N,N-diethylcarbamothioate is CCN(CC)C(=S)O[Se]OC(=S)N(CC)CC.
What is the InChIKey of O-(diethylcarbamothioyloxyselanyl) N,N-diethylcarbamothioate?
The InChIKey is SPQAFWXPGAFRPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2S2Se/c1-5-11(6-2)9(15)13-17-14-10(16)12(7-3)8-4/h5-8H2,1-4H3.
What are the key properties of O-(diethylcarbamothioyloxyselanyl) N,N-diethylcarbamothioate?
O-(diethylcarbamothioyloxyselanyl) N,N-diethylcarbamothioate has a molecular weight of 343.38 g/mol, XLogP of 1.81, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for O-(diethylcarbamothioyloxyselanyl) N,N-diethylcarbamothioate is sourced from PubChem (CID 140514476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).