methyl N'-ethylcarbamimidothioate;hydroiodide

C4H11IN2S — CID 13301349

IUPACmethyl N'-ethylcarbamimidothioate;hydroiodide
SMILESCC/N=C(/N)SC.I
InChIInChI=1S/C4H10N2S.HI/c1-3-6-4(5)7-2;/h3H2,1-2H3,(H2,5,6);1H
InChIKeyKGGGDOUUGUNODJ-UHFFFAOYSA-N
MW246.12 g/mol
LogP1.30
Rot. Bonds1

About methyl N'-ethylcarbamimidothioate;hydroiodide

methyl N'-ethylcarbamimidothioate;hydroiodide (PubChem CID 13301349) has the molecular formula C4H11IN2S and a molecular weight of 246.12 g/mol. Its IUPAC name is methyl N'-ethylcarbamimidothioate;hydroiodide.

Molecular Properties

Compound Namemethyl N'-ethylcarbamimidothioate;hydroiodide
PubChem CID13301349
Molecular FormulaC4H11IN2S
Molecular Weight246.12 g/mol
Exact Mass245.97
IUPAC Namemethyl N'-ethylcarbamimidothioate;hydroiodide
SMILESCC/N=C(/N)SC.I
InChIInChI=1S/C4H10N2S.HI/c1-3-6-4(5)7-2;/h3H2,1-2H3,(H2,5,6);1H
InChIKeyKGGGDOUUGUNODJ-UHFFFAOYSA-N
XLogP1.30
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.12
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl N'-ethylcarbamimidothioate;hydroiodide?
The IUPAC name of methyl N'-ethylcarbamimidothioate;hydroiodide (CID 13301349) is methyl N'-ethylcarbamimidothioate;hydroiodide.
What is the SMILES notation for methyl N'-ethylcarbamimidothioate;hydroiodide?
The canonical SMILES for methyl N'-ethylcarbamimidothioate;hydroiodide is CC/N=C(/N)SC.I.
What is the InChIKey of methyl N'-ethylcarbamimidothioate;hydroiodide?
The InChIKey is KGGGDOUUGUNODJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10N2S.HI/c1-3-6-4(5)7-2;/h3H2,1-2H3,(H2,5,6);1H.
What are the key properties of methyl N'-ethylcarbamimidothioate;hydroiodide?
methyl N'-ethylcarbamimidothioate;hydroiodide has a molecular weight of 246.12 g/mol, XLogP of 1.30, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N'-ethylcarbamimidothioate;hydroiodide is sourced from PubChem (CID 13301349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).