2-ethylsulfanyl-N'-hydroxy-5-(trifluoromethyl)benzenecarboximidamide

C10H11F3N2OS — CID 43153737

IUPAC2-ethylsulfanyl-N'-hydroxy-5-(trifluoromethyl)benzenecarboximidamide
SMILESCCSc1ccc(C(F)(F)F)cc1/C(N)=N/O
InChIInChI=1S/C10H11F3N2OS/c1-2-17-8-4-3-6(10(11,12)13)5-7(8)9(14)15-16/h3-5,16H,2H2,1H3,(H2,14,15)
InChIKeyBGDVKACNHWLJAK-UHFFFAOYSA-N
MW264.27 g/mol
LogP2.91
Rot. Bonds3

About 2-ethylsulfanyl-N'-hydroxy-5-(trifluoromethyl)benzenecarboximidamide

2-ethylsulfanyl-N'-hydroxy-5-(trifluoromethyl)benzenecarboximidamide (PubChem CID 43153737) has the molecular formula C10H11F3N2OS and a molecular weight of 264.27 g/mol. Its IUPAC name is 2-ethylsulfanyl-N'-hydroxy-5-(trifluoromethyl)benzenecarboximidamide.

Molecular Properties

Compound Name2-ethylsulfanyl-N'-hydroxy-5-(trifluoromethyl)benzenecarboximidamide
PubChem CID43153737
Molecular FormulaC10H11F3N2OS
Molecular Weight264.27 g/mol
Exact Mass264.05
IUPAC Name2-ethylsulfanyl-N'-hydroxy-5-(trifluoromethyl)benzenecarboximidamide
SMILESCCSc1ccc(C(F)(F)F)cc1/C(N)=N/O
InChIInChI=1S/C10H11F3N2OS/c1-2-17-8-4-3-6(10(11,12)13)5-7(8)9(14)15-16/h3-5,16H,2H2,1H3,(H2,14,15)
InChIKeyBGDVKACNHWLJAK-UHFFFAOYSA-N
XLogP2.91
TPSA58.61 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.27
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfanyl-N'-hydroxy-5-(trifluoromethyl)benzenecarboximidamide?
The IUPAC name of 2-ethylsulfanyl-N'-hydroxy-5-(trifluoromethyl)benzenecarboximidamide (CID 43153737) is 2-ethylsulfanyl-N'-hydroxy-5-(trifluoromethyl)benzenecarboximidamide.
What is the SMILES notation for 2-ethylsulfanyl-N'-hydroxy-5-(trifluoromethyl)benzenecarboximidamide?
The canonical SMILES for 2-ethylsulfanyl-N'-hydroxy-5-(trifluoromethyl)benzenecarboximidamide is CCSc1ccc(C(F)(F)F)cc1/C(N)=N/O.
What is the InChIKey of 2-ethylsulfanyl-N'-hydroxy-5-(trifluoromethyl)benzenecarboximidamide?
The InChIKey is BGDVKACNHWLJAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N2OS/c1-2-17-8-4-3-6(10(11,12)13)5-7(8)9(14)15-16/h3-5,16H,2H2,1H3,(H2,14,15).
What are the key properties of 2-ethylsulfanyl-N'-hydroxy-5-(trifluoromethyl)benzenecarboximidamide?
2-ethylsulfanyl-N'-hydroxy-5-(trifluoromethyl)benzenecarboximidamide has a molecular weight of 264.27 g/mol, XLogP of 2.91, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfanyl-N'-hydroxy-5-(trifluoromethyl)benzenecarboximidamide is sourced from PubChem (CID 43153737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).