propyl N'-ethylcarbamimidothioate

C6H14N2S — CID 19799719

IUPACpropyl N'-ethylcarbamimidothioate
SMILESCCCS/C(N)=N\CC
InChIInChI=1S/C6H14N2S/c1-3-5-9-6(7)8-4-2/h3-5H2,1-2H3,(H2,7,8)
InChIKeyDKVXQZYLQWMNTO-UHFFFAOYSA-N
MW146.26 g/mol
LogP1.46
Rot. Bonds3

About propyl N'-ethylcarbamimidothioate

propyl N'-ethylcarbamimidothioate (PubChem CID 19799719) has the molecular formula C6H14N2S and a molecular weight of 146.26 g/mol. Its IUPAC name is propyl N'-ethylcarbamimidothioate.

Molecular Properties

Compound Namepropyl N'-ethylcarbamimidothioate
PubChem CID19799719
Molecular FormulaC6H14N2S
Molecular Weight146.26 g/mol
Exact Mass146.09
IUPAC Namepropyl N'-ethylcarbamimidothioate
SMILESCCCS/C(N)=N\CC
InChIInChI=1S/C6H14N2S/c1-3-5-9-6(7)8-4-2/h3-5H2,1-2H3,(H2,7,8)
InChIKeyDKVXQZYLQWMNTO-UHFFFAOYSA-N
XLogP1.46
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.26
LogP ≤ 51.46
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 propyl N'-ethylcarbamimidothioate?
The IUPAC name of propyl N'-ethylcarbamimidothioate (CID 19799719) is propyl N'-ethylcarbamimidothioate.
What is the SMILES notation for propyl N'-ethylcarbamimidothioate?
The canonical SMILES for propyl N'-ethylcarbamimidothioate is CCCS/C(N)=N\CC.
What is the InChIKey of propyl N'-ethylcarbamimidothioate?
The InChIKey is DKVXQZYLQWMNTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2S/c1-3-5-9-6(7)8-4-2/h3-5H2,1-2H3,(H2,7,8).
What are the key properties of propyl N'-ethylcarbamimidothioate?
propyl N'-ethylcarbamimidothioate has a molecular weight of 146.26 g/mol, XLogP of 1.46, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for propyl N'-ethylcarbamimidothioate is sourced from PubChem (CID 19799719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).