[2-[2-(ethylcarbamothioyl)hydrazinyl]-2-oxoethyl]-trimethylazanium

C8H19N4OS+ — CID 102208536

IUPAC[2-[2-(ethylcarbamothioyl)hydrazinyl]-2-oxoethyl]-trimethylazanium
SMILESCCNC(=S)NNC(=O)C[N+](C)(C)C
InChIInChI=1S/C8H18N4OS/c1-5-9-8(14)11-10-7(13)6-12(2,3)4/h5-6H2,1-4H3,(H2-,9,10,11,13,14)/p+1
InChIKeyMQDGOWNCDYBAKI-UHFFFAOYSA-O
MW219.33 g/mol
LogP-0.79
Rot. Bonds3

About [2-[2-(ethylcarbamothioyl)hydrazinyl]-2-oxoethyl]-trimethylazanium

[2-[2-(ethylcarbamothioyl)hydrazinyl]-2-oxoethyl]-trimethylazanium (PubChem CID 102208536) has the molecular formula C8H19N4OS+ and a molecular weight of 219.33 g/mol. Its IUPAC name is [2-[2-(ethylcarbamothioyl)hydrazinyl]-2-oxoethyl]-trimethylazanium.

Molecular Properties

Compound Name[2-[2-(ethylcarbamothioyl)hydrazinyl]-2-oxoethyl]-trimethylazanium
PubChem CID102208536
Molecular FormulaC8H19N4OS+
Molecular Weight219.33 g/mol
Exact Mass219.13
IUPAC Name[2-[2-(ethylcarbamothioyl)hydrazinyl]-2-oxoethyl]-trimethylazanium
SMILESCCNC(=S)NNC(=O)C[N+](C)(C)C
InChIInChI=1S/C8H18N4OS/c1-5-9-8(14)11-10-7(13)6-12(2,3)4/h5-6H2,1-4H3,(H2-,9,10,11,13,14)/p+1
InChIKeyMQDGOWNCDYBAKI-UHFFFAOYSA-O
XLogP-0.79
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 5-0.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze [2-[2-(ethylcarbamothioyl)hydrazinyl]-2-oxoethyl]-trimethylazanium with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [2-[2-(ethylcarbamothioyl)hydrazinyl]-2-oxoethyl]-trimethylazanium?
The IUPAC name of [2-[2-(ethylcarbamothioyl)hydrazinyl]-2-oxoethyl]-trimethylazanium (CID 102208536) is [2-[2-(ethylcarbamothioyl)hydrazinyl]-2-oxoethyl]-trimethylazanium.
What is the SMILES notation for [2-[2-(ethylcarbamothioyl)hydrazinyl]-2-oxoethyl]-trimethylazanium?
The canonical SMILES for [2-[2-(ethylcarbamothioyl)hydrazinyl]-2-oxoethyl]-trimethylazanium is CCNC(=S)NNC(=O)C[N+](C)(C)C.
What is the InChIKey of [2-[2-(ethylcarbamothioyl)hydrazinyl]-2-oxoethyl]-trimethylazanium?
The InChIKey is MQDGOWNCDYBAKI-UHFFFAOYSA-O. The full InChI is InChI=1S/C8H18N4OS/c1-5-9-8(14)11-10-7(13)6-12(2,3)4/h5-6H2,1-4H3,(H2-,9,10,11,13,14)/p+1.
What are the key properties of [2-[2-(ethylcarbamothioyl)hydrazinyl]-2-oxoethyl]-trimethylazanium?
[2-[2-(ethylcarbamothioyl)hydrazinyl]-2-oxoethyl]-trimethylazanium has a molecular weight of 219.33 g/mol, XLogP of -0.79, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(ethylcarbamothioyl)hydrazinyl]-2-oxoethyl]-trimethylazanium is sourced from PubChem (CID 102208536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).