methyl N,N-diethyl-N'-methylcarbamimidothioate;hydrochloride

C7H17ClN2S — CID 139719403

IUPACmethyl N,N-diethyl-N'-methylcarbamimidothioate;hydrochloride
SMILESCCN(CC)/C(=N/C)SC.Cl
InChIInChI=1S/C7H16N2S.ClH/c1-5-9(6-2)7(8-3)10-4;/h5-6H2,1-4H3;1H/b8-7-;
InChIKeyNCMXYBOKEUMLPB-CFYXSCKTSA-N
MW196.75 g/mol
LogP2.10
Rot. Bonds2

About methyl N,N-diethyl-N'-methylcarbamimidothioate;hydrochloride

methyl N,N-diethyl-N'-methylcarbamimidothioate;hydrochloride (PubChem CID 139719403) has the molecular formula C7H17ClN2S and a molecular weight of 196.75 g/mol. Its IUPAC name is methyl N,N-diethyl-N'-methylcarbamimidothioate;hydrochloride.

Molecular Properties

Compound Namemethyl N,N-diethyl-N'-methylcarbamimidothioate;hydrochloride
PubChem CID139719403
Molecular FormulaC7H17ClN2S
Molecular Weight196.75 g/mol
Exact Mass196.08
IUPAC Namemethyl N,N-diethyl-N'-methylcarbamimidothioate;hydrochloride
SMILESCCN(CC)/C(=N/C)SC.Cl
InChIInChI=1S/C7H16N2S.ClH/c1-5-9(6-2)7(8-3)10-4;/h5-6H2,1-4H3;1H/b8-7-;
InChIKeyNCMXYBOKEUMLPB-CFYXSCKTSA-N
XLogP2.10
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.75
LogP ≤ 52.10
H-Bond Donors ≤ 50
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,N-diethyl-N'-methylcarbamimidothioate;hydrochloride 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

1-Ethyl-2-(methylsulfanyl)-4,5-dihydro-1H-imidazole
CID 12504492
methyl (NE)-N-(dimethylaminomethylidene)-N'-ethylcarbamimidothioate
CID 134894287
methyl N,N-diethyl-N'-methylcarbamimidothioate
CID 20148710
1-Methyl-2-methylsulfanyl-4,5-dihydroimidazole;hydrochloride
CID 21397120
methyl N,N'-dimethyl-N-propylcarbamimidothioate
CID 21718287
methyl N,N'-diethyl-N-methylcarbamimidothioate
CID 57031942
methyl N'-cyano-N,N-diethylcarbamimidothioate
CID 80489751
[[Ethyl(methyl)amino]-methylsulfanylmethylidene]-dimethylazanium
CID 87343668
[Diethylamino(methylsulfanyl)methylidene]-dimethylazanium iodide
CID 87470963
[Diethylamino(methylsulfanyl)methylidene]-diethylazanium iodide
CID 87472061
Ethane;1-methyl-2-methylsulfanyl-4,5-dihydroimidazole
CID 143333545
methyl N'-cyano-N-ethyl-N-methylcarbamimidothioate
CID 80489818

Frequently Asked Questions

What is the IUPAC name of methyl N,N-diethyl-N'-methylcarbamimidothioate;hydrochloride?
The IUPAC name of methyl N,N-diethyl-N'-methylcarbamimidothioate;hydrochloride (CID 139719403) is methyl N,N-diethyl-N'-methylcarbamimidothioate;hydrochloride.
What is the SMILES notation for methyl N,N-diethyl-N'-methylcarbamimidothioate;hydrochloride?
The canonical SMILES for methyl N,N-diethyl-N'-methylcarbamimidothioate;hydrochloride is CCN(CC)/C(=N/C)SC.Cl.
What is the InChIKey of methyl N,N-diethyl-N'-methylcarbamimidothioate;hydrochloride?
The InChIKey is NCMXYBOKEUMLPB-CFYXSCKTSA-N. The full InChI is InChI=1S/C7H16N2S.ClH/c1-5-9(6-2)7(8-3)10-4;/h5-6H2,1-4H3;1H/b8-7-;.
What are the key properties of methyl N,N-diethyl-N'-methylcarbamimidothioate;hydrochloride?
methyl N,N-diethyl-N'-methylcarbamimidothioate;hydrochloride has a molecular weight of 196.75 g/mol, XLogP of 2.10, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N,N-diethyl-N'-methylcarbamimidothioate;hydrochloride is sourced from PubChem (CID 139719403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).