methyl N'-ethylcarbamimidothioate

C4H10N2S — CID 13301348

IUPACmethyl N'-ethylcarbamimidothioate
SMILESCC/N=C(/N)SC
InChIInChI=1S/C4H10N2S/c1-3-6-4(5)7-2/h3H2,1-2H3,(H2,5,6)
InChIKeyHRDFVQLHRAQAKQ-UHFFFAOYSA-N
MW118.20 g/mol
LogP0.68
Rot. Bonds1

About methyl N'-ethylcarbamimidothioate

methyl N'-ethylcarbamimidothioate (PubChem CID 13301348) has the molecular formula C4H10N2S and a molecular weight of 118.20 g/mol. Its IUPAC name is methyl N'-ethylcarbamimidothioate.

Molecular Properties

Compound Namemethyl N'-ethylcarbamimidothioate
PubChem CID13301348
Molecular FormulaC4H10N2S
Molecular Weight118.20 g/mol
Exact Mass118.06
IUPAC Namemethyl N'-ethylcarbamimidothioate
SMILESCC/N=C(/N)SC
InChIInChI=1S/C4H10N2S/c1-3-6-4(5)7-2/h3H2,1-2H3,(H2,5,6)
InChIKeyHRDFVQLHRAQAKQ-UHFFFAOYSA-N
XLogP0.68
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.20
LogP ≤ 50.68
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'}

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Frequently Asked Questions

What is the IUPAC name of methyl N'-ethylcarbamimidothioate?
The IUPAC name of methyl N'-ethylcarbamimidothioate (CID 13301348) is methyl N'-ethylcarbamimidothioate.
What is the SMILES notation for methyl N'-ethylcarbamimidothioate?
The canonical SMILES for methyl N'-ethylcarbamimidothioate is CC/N=C(/N)SC.
What is the InChIKey of methyl N'-ethylcarbamimidothioate?
The InChIKey is HRDFVQLHRAQAKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10N2S/c1-3-6-4(5)7-2/h3H2,1-2H3,(H2,5,6).
What are the key properties of methyl N'-ethylcarbamimidothioate?
methyl N'-ethylcarbamimidothioate has a molecular weight of 118.20 g/mol, XLogP of 0.68, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N'-ethylcarbamimidothioate is sourced from PubChem (CID 13301348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).