prop-1-en-2-yl N-ethyl-N'-methylcarbamimidothioate

C7H14N2S — CID 123734277

IUPACprop-1-en-2-yl N-ethyl-N'-methylcarbamimidothioate
SMILESC=C(C)S/C(=N/C)NCC
InChIInChI=1S/C7H14N2S/c1-5-9-7(8-4)10-6(2)3/h2,5H2,1,3-4H3,(H,8,9)
InChIKeyMHACZKOXFAUENG-UHFFFAOYSA-N
MW158.27 g/mol
LogP1.85
Rot. Bonds2

About prop-1-en-2-yl N-ethyl-N'-methylcarbamimidothioate

prop-1-en-2-yl N-ethyl-N'-methylcarbamimidothioate (PubChem CID 123734277) has the molecular formula C7H14N2S and a molecular weight of 158.27 g/mol. Its IUPAC name is prop-1-en-2-yl N-ethyl-N'-methylcarbamimidothioate.

Molecular Properties

Compound Nameprop-1-en-2-yl N-ethyl-N'-methylcarbamimidothioate
PubChem CID123734277
Molecular FormulaC7H14N2S
Molecular Weight158.27 g/mol
Exact Mass158.09
IUPAC Nameprop-1-en-2-yl N-ethyl-N'-methylcarbamimidothioate
SMILESC=C(C)S/C(=N/C)NCC
InChIInChI=1S/C7H14N2S/c1-5-9-7(8-4)10-6(2)3/h2,5H2,1,3-4H3,(H,8,9)
InChIKeyMHACZKOXFAUENG-UHFFFAOYSA-N
XLogP1.85
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.27
LogP ≤ 51.85
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 prop-1-en-2-yl N-ethyl-N'-methylcarbamimidothioate?
The IUPAC name of prop-1-en-2-yl N-ethyl-N'-methylcarbamimidothioate (CID 123734277) is prop-1-en-2-yl N-ethyl-N'-methylcarbamimidothioate.
What is the SMILES notation for prop-1-en-2-yl N-ethyl-N'-methylcarbamimidothioate?
The canonical SMILES for prop-1-en-2-yl N-ethyl-N'-methylcarbamimidothioate is C=C(C)S/C(=N/C)NCC.
What is the InChIKey of prop-1-en-2-yl N-ethyl-N'-methylcarbamimidothioate?
The InChIKey is MHACZKOXFAUENG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2S/c1-5-9-7(8-4)10-6(2)3/h2,5H2,1,3-4H3,(H,8,9).
What are the key properties of prop-1-en-2-yl N-ethyl-N'-methylcarbamimidothioate?
prop-1-en-2-yl N-ethyl-N'-methylcarbamimidothioate has a molecular weight of 158.27 g/mol, XLogP of 1.85, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for prop-1-en-2-yl N-ethyl-N'-methylcarbamimidothioate is sourced from PubChem (CID 123734277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).