methyl N,N'-diethyl-N-methylcarbamimidothioate

C7H16N2S — CID 57031942

IUPACmethyl N,N'-diethyl-N-methylcarbamimidothioate
SMILESCC/N=C(\SC)N(C)CC
InChIInChI=1S/C7H16N2S/c1-5-8-7(10-4)9(3)6-2/h5-6H2,1-4H3/b8-7-
InChIKeyMEOIWXLADBQWSZ-FPLPWBNLSA-N
MW160.29 g/mol
LogP1.68
Rot. Bonds2

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

methyl N,N'-diethyl-N-methylcarbamimidothioate (PubChem CID 57031942) has the molecular formula C7H16N2S and a molecular weight of 160.29 g/mol. Its IUPAC name is methyl N,N'-diethyl-N-methylcarbamimidothioate.

Molecular Properties

Compound Namemethyl N,N'-diethyl-N-methylcarbamimidothioate
PubChem CID57031942
Molecular FormulaC7H16N2S
Molecular Weight160.29 g/mol
Exact Mass160.10
IUPAC Namemethyl N,N'-diethyl-N-methylcarbamimidothioate
SMILESCC/N=C(\SC)N(C)CC
InChIInChI=1S/C7H16N2S/c1-5-8-7(10-4)9(3)6-2/h5-6H2,1-4H3/b8-7-
InChIKeyMEOIWXLADBQWSZ-FPLPWBNLSA-N
XLogP1.68
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.29
LogP ≤ 51.68
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'}

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Related Compounds

1-methyl-2-methylsulfanyl-4,5-dihydro-1H-imidazole
CID 10396874
1-methyl-2-(methylsulfanyl)-4,5-dihydro-1H-imidazole hydroiodide
CID 12281505
1-methyl-2-methylsulfanyl-5,6-dihydro-4H-pyrimidine
CID 3371191
1-Ethyl-2-(methylsulfanyl)-4,5-dihydro-1H-imidazole
CID 12504492
1,3-Dimethyl-2-methylsulfanyl-4,5-dihydroimidazol-1-ium iodide
CID 12281507
methyl N'-cyano-N-(cyanomethyl)-N-methylcarbamimidothioate
CID 45089000
methyl (NE)-N-(dimethylaminomethylidene)-N'-ethylcarbamimidothioate
CID 134894287
Methyl-[[methyl(propan-2-yl)amino]-methylsulfanylmethylidene]-propan-2-ylazanium iodide
CID 176442203
2-(dimethylamino)ethyl N,N,N'-trimethylcarbamimidothioate
CID 3063091
methyl N,N-dimethyl-N'-propan-2-ylcarbamimidothioate
CID 12411432
N-ethyl-N-methyl-4,5-dihydro-1,3-thiazol-2-amine
CID 18728209
methyl N,N-diethyl-N'-methylcarbamimidothioate
CID 20148710

Frequently Asked Questions

What is the IUPAC name of methyl N,N'-diethyl-N-methylcarbamimidothioate?
The IUPAC name of methyl N,N'-diethyl-N-methylcarbamimidothioate (CID 57031942) is methyl N,N'-diethyl-N-methylcarbamimidothioate.
What is the SMILES notation for methyl N,N'-diethyl-N-methylcarbamimidothioate?
The canonical SMILES for methyl N,N'-diethyl-N-methylcarbamimidothioate is CC/N=C(\SC)N(C)CC.
What is the InChIKey of methyl N,N'-diethyl-N-methylcarbamimidothioate?
The InChIKey is MEOIWXLADBQWSZ-FPLPWBNLSA-N. The full InChI is InChI=1S/C7H16N2S/c1-5-8-7(10-4)9(3)6-2/h5-6H2,1-4H3/b8-7-.
What are the key properties of methyl N,N'-diethyl-N-methylcarbamimidothioate?
methyl N,N'-diethyl-N-methylcarbamimidothioate has a molecular weight of 160.29 g/mol, XLogP of 1.68, 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 is sourced from PubChem (CID 57031942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).