4-ethylsulfanylbutanimidamide;hydrochloride

C6H15ClN2S — CID 86775550

IUPAC4-ethylsulfanylbutanimidamide;hydrochloride
SMILESCl.[H]/N=C(/N)CCCSCC
InChIInChI=1S/C6H14N2S.ClH/c1-2-9-5-3-4-6(7)8;/h2-5H2,1H3,(H3,7,8);1H
InChIKeyPRLWTDKURDUKIN-UHFFFAOYSA-N
MW182.72 g/mol
LogP1.88
Rot. Bonds5

About 4-ethylsulfanylbutanimidamide;hydrochloride

4-ethylsulfanylbutanimidamide;hydrochloride (PubChem CID 86775550) has the molecular formula C6H15ClN2S and a molecular weight of 182.72 g/mol. Its IUPAC name is 4-ethylsulfanylbutanimidamide;hydrochloride.

Molecular Properties

Compound Name4-ethylsulfanylbutanimidamide;hydrochloride
PubChem CID86775550
Molecular FormulaC6H15ClN2S
Molecular Weight182.72 g/mol
Exact Mass182.06
IUPAC Name4-ethylsulfanylbutanimidamide;hydrochloride
SMILESCl.[H]/N=C(/N)CCCSCC
InChIInChI=1S/C6H14N2S.ClH/c1-2-9-5-3-4-6(7)8;/h2-5H2,1H3,(H3,7,8);1H
InChIKeyPRLWTDKURDUKIN-UHFFFAOYSA-N
XLogP1.88
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.72
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 4-ethylsulfanylbutanimidamide;hydrochloride?
The IUPAC name of 4-ethylsulfanylbutanimidamide;hydrochloride (CID 86775550) is 4-ethylsulfanylbutanimidamide;hydrochloride.
What is the SMILES notation for 4-ethylsulfanylbutanimidamide;hydrochloride?
The canonical SMILES for 4-ethylsulfanylbutanimidamide;hydrochloride is Cl.[H]/N=C(/N)CCCSCC.
What is the InChIKey of 4-ethylsulfanylbutanimidamide;hydrochloride?
The InChIKey is PRLWTDKURDUKIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2S.ClH/c1-2-9-5-3-4-6(7)8;/h2-5H2,1H3,(H3,7,8);1H.
What are the key properties of 4-ethylsulfanylbutanimidamide;hydrochloride?
4-ethylsulfanylbutanimidamide;hydrochloride has a molecular weight of 182.72 g/mol, XLogP of 1.88, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethylsulfanylbutanimidamide;hydrochloride is sourced from PubChem (CID 86775550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).