ethyl N-amino-N'-methylcarbamimidothioate

C4H11N3S — CID 118218541

IUPACethyl N-amino-N'-methylcarbamimidothioate
SMILESCCS/C(=N\C)NN
InChIInChI=1S/C4H11N3S/c1-3-8-4(6-2)7-5/h3,5H2,1-2H3,(H,6,7)
InChIKeyATAUKKXWPWRYFG-UHFFFAOYSA-N
MW133.22 g/mol
LogP0.19
Rot. Bonds1

About ethyl N-amino-N'-methylcarbamimidothioate

ethyl N-amino-N'-methylcarbamimidothioate (PubChem CID 118218541) has the molecular formula C4H11N3S and a molecular weight of 133.22 g/mol. Its IUPAC name is ethyl N-amino-N'-methylcarbamimidothioate.

Molecular Properties

Compound Nameethyl N-amino-N'-methylcarbamimidothioate
PubChem CID118218541
Molecular FormulaC4H11N3S
Molecular Weight133.22 g/mol
Exact Mass133.07
IUPAC Nameethyl N-amino-N'-methylcarbamimidothioate
SMILESCCS/C(=N\C)NN
InChIInChI=1S/C4H11N3S/c1-3-8-4(6-2)7-5/h3,5H2,1-2H3,(H,6,7)
InChIKeyATAUKKXWPWRYFG-UHFFFAOYSA-N
XLogP0.19
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.22
LogP ≤ 50.19
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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl N-amino-N'-methylcarbamimidothioate?
The IUPAC name of ethyl N-amino-N'-methylcarbamimidothioate (CID 118218541) is ethyl N-amino-N'-methylcarbamimidothioate.
What is the SMILES notation for ethyl N-amino-N'-methylcarbamimidothioate?
The canonical SMILES for ethyl N-amino-N'-methylcarbamimidothioate is CCS/C(=N\C)NN.
What is the InChIKey of ethyl N-amino-N'-methylcarbamimidothioate?
The InChIKey is ATAUKKXWPWRYFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11N3S/c1-3-8-4(6-2)7-5/h3,5H2,1-2H3,(H,6,7).
What are the key properties of ethyl N-amino-N'-methylcarbamimidothioate?
ethyl N-amino-N'-methylcarbamimidothioate has a molecular weight of 133.22 g/mol, XLogP of 0.19, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-amino-N'-methylcarbamimidothioate is sourced from PubChem (CID 118218541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).