methyl N'-ethylcarbamimidothioate;hydrochloride

C4H11ClN2S — CID 158305401

IUPACmethyl N'-ethylcarbamimidothioate;hydrochloride
SMILESCC/N=C(/N)SC.Cl
InChIInChI=1S/C4H10N2S.ClH/c1-3-6-4(5)7-2;/h3H2,1-2H3,(H2,5,6);1H
InChIKeyGNAGMCYLGJJJBR-UHFFFAOYSA-N
MW154.67 g/mol
LogP1.11
Rot. Bonds1

About methyl N'-ethylcarbamimidothioate;hydrochloride

methyl N'-ethylcarbamimidothioate;hydrochloride (PubChem CID 158305401) has the molecular formula C4H11ClN2S and a molecular weight of 154.67 g/mol. Its IUPAC name is methyl N'-ethylcarbamimidothioate;hydrochloride.

Molecular Properties

Compound Namemethyl N'-ethylcarbamimidothioate;hydrochloride
PubChem CID158305401
Molecular FormulaC4H11ClN2S
Molecular Weight154.67 g/mol
Exact Mass154.03
IUPAC Namemethyl N'-ethylcarbamimidothioate;hydrochloride
SMILESCC/N=C(/N)SC.Cl
InChIInChI=1S/C4H10N2S.ClH/c1-3-6-4(5)7-2;/h3H2,1-2H3,(H2,5,6);1H
InChIKeyGNAGMCYLGJJJBR-UHFFFAOYSA-N
XLogP1.11
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.67
LogP ≤ 51.11
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'}

Analyze methyl N'-ethylcarbamimidothioate;hydrochloride 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 methyl N'-ethylcarbamimidothioate;hydrochloride?
The IUPAC name of methyl N'-ethylcarbamimidothioate;hydrochloride (CID 158305401) is methyl N'-ethylcarbamimidothioate;hydrochloride.
What is the SMILES notation for methyl N'-ethylcarbamimidothioate;hydrochloride?
The canonical SMILES for methyl N'-ethylcarbamimidothioate;hydrochloride is CC/N=C(/N)SC.Cl.
What is the InChIKey of methyl N'-ethylcarbamimidothioate;hydrochloride?
The InChIKey is GNAGMCYLGJJJBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10N2S.ClH/c1-3-6-4(5)7-2;/h3H2,1-2H3,(H2,5,6);1H.
What are the key properties of methyl N'-ethylcarbamimidothioate;hydrochloride?
methyl N'-ethylcarbamimidothioate;hydrochloride has a molecular weight of 154.67 g/mol, XLogP of 1.11, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N'-ethylcarbamimidothioate;hydrochloride is sourced from PubChem (CID 158305401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).