ethyl N-amino-N'-ethylcarbamimidothioate;hydroiodide

C5H14IN3S — CID 88809437

IUPACethyl N-amino-N'-ethylcarbamimidothioate;hydroiodide
SMILESCC/N=C(/NN)SCC.I
InChIInChI=1S/C5H13N3S.HI/c1-3-7-5(8-6)9-4-2;/h3-4,6H2,1-2H3,(H,7,8);1H
InChIKeyUCXTXKFPEKYKJN-UHFFFAOYSA-N
MW275.16 g/mol
LogP1.20
Rot. Bonds2

About ethyl N-amino-N'-ethylcarbamimidothioate;hydroiodide

ethyl N-amino-N'-ethylcarbamimidothioate;hydroiodide (PubChem CID 88809437) has the molecular formula C5H14IN3S and a molecular weight of 275.16 g/mol. Its IUPAC name is ethyl N-amino-N'-ethylcarbamimidothioate;hydroiodide.

Molecular Properties

Compound Nameethyl N-amino-N'-ethylcarbamimidothioate;hydroiodide
PubChem CID88809437
Molecular FormulaC5H14IN3S
Molecular Weight275.16 g/mol
Exact Mass275.00
IUPAC Nameethyl N-amino-N'-ethylcarbamimidothioate;hydroiodide
SMILESCC/N=C(/NN)SCC.I
InChIInChI=1S/C5H13N3S.HI/c1-3-7-5(8-6)9-4-2;/h3-4,6H2,1-2H3,(H,7,8);1H
InChIKeyUCXTXKFPEKYKJN-UHFFFAOYSA-N
XLogP1.20
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.16
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze ethyl N-amino-N'-ethylcarbamimidothioate;hydroiodide 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 ethyl N-amino-N'-ethylcarbamimidothioate;hydroiodide?
The IUPAC name of ethyl N-amino-N'-ethylcarbamimidothioate;hydroiodide (CID 88809437) is ethyl N-amino-N'-ethylcarbamimidothioate;hydroiodide.
What is the SMILES notation for ethyl N-amino-N'-ethylcarbamimidothioate;hydroiodide?
The canonical SMILES for ethyl N-amino-N'-ethylcarbamimidothioate;hydroiodide is CC/N=C(/NN)SCC.I.
What is the InChIKey of ethyl N-amino-N'-ethylcarbamimidothioate;hydroiodide?
The InChIKey is UCXTXKFPEKYKJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13N3S.HI/c1-3-7-5(8-6)9-4-2;/h3-4,6H2,1-2H3,(H,7,8);1H.
What are the key properties of ethyl N-amino-N'-ethylcarbamimidothioate;hydroiodide?
ethyl N-amino-N'-ethylcarbamimidothioate;hydroiodide has a molecular weight of 275.16 g/mol, XLogP of 1.20, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-amino-N'-ethylcarbamimidothioate;hydroiodide is sourced from PubChem (CID 88809437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).