2-ethylsulfanylpropanimidamide;hydrochloride

C5H13ClN2S — CID 71756829

IUPAC2-ethylsulfanylpropanimidamide;hydrochloride
SMILESCl.[H]/N=C(\N)C(C)SCC
InChIInChI=1S/C5H12N2S.ClH/c1-3-8-4(2)5(6)7;/h4H,3H2,1-2H3,(H3,6,7);1H
InChIKeyIXZIZRKBWPHSED-UHFFFAOYSA-N
MW168.69 g/mol
LogP1.49
Rot. Bonds3

About 2-ethylsulfanylpropanimidamide;hydrochloride

2-ethylsulfanylpropanimidamide;hydrochloride (PubChem CID 71756829) has the molecular formula C5H13ClN2S and a molecular weight of 168.69 g/mol. Its IUPAC name is 2-ethylsulfanylpropanimidamide;hydrochloride.

Molecular Properties

Compound Name2-ethylsulfanylpropanimidamide;hydrochloride
PubChem CID71756829
Molecular FormulaC5H13ClN2S
Molecular Weight168.69 g/mol
Exact Mass168.05
IUPAC Name2-ethylsulfanylpropanimidamide;hydrochloride
SMILESCl.[H]/N=C(\N)C(C)SCC
InChIInChI=1S/C5H12N2S.ClH/c1-3-8-4(2)5(6)7;/h4H,3H2,1-2H3,(H3,6,7);1H
InChIKeyIXZIZRKBWPHSED-UHFFFAOYSA-N
XLogP1.49
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.69
LogP ≤ 51.49
H-Bond Donors ≤ 52
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 2-ethylsulfanylpropanimidamide;hydrochloride?
The IUPAC name of 2-ethylsulfanylpropanimidamide;hydrochloride (CID 71756829) is 2-ethylsulfanylpropanimidamide;hydrochloride.
What is the SMILES notation for 2-ethylsulfanylpropanimidamide;hydrochloride?
The canonical SMILES for 2-ethylsulfanylpropanimidamide;hydrochloride is Cl.[H]/N=C(\N)C(C)SCC.
What is the InChIKey of 2-ethylsulfanylpropanimidamide;hydrochloride?
The InChIKey is IXZIZRKBWPHSED-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2S.ClH/c1-3-8-4(2)5(6)7;/h4H,3H2,1-2H3,(H3,6,7);1H.
What are the key properties of 2-ethylsulfanylpropanimidamide;hydrochloride?
2-ethylsulfanylpropanimidamide;hydrochloride has a molecular weight of 168.69 g/mol, XLogP of 1.49, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfanylpropanimidamide;hydrochloride is sourced from PubChem (CID 71756829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).