2-ethylsulfanyl-5-(trifluoromethyl)benzenecarboximidamide

C10H11F3N2S — CID 43153743

IUPAC2-ethylsulfanyl-5-(trifluoromethyl)benzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(C(F)(F)F)ccc1SCC
InChIInChI=1S/C10H11F3N2S/c1-2-16-8-4-3-6(10(11,12)13)5-7(8)9(14)15/h3-5H,2H2,1H3,(H3,14,15)
InChIKeyYPSRJONWHYRKIZ-UHFFFAOYSA-N
MW248.27 g/mol
LogP3.10
Rot. Bonds3

About 2-ethylsulfanyl-5-(trifluoromethyl)benzenecarboximidamide

2-ethylsulfanyl-5-(trifluoromethyl)benzenecarboximidamide (PubChem CID 43153743) has the molecular formula C10H11F3N2S and a molecular weight of 248.27 g/mol. Its IUPAC name is 2-ethylsulfanyl-5-(trifluoromethyl)benzenecarboximidamide.

Molecular Properties

Compound Name2-ethylsulfanyl-5-(trifluoromethyl)benzenecarboximidamide
PubChem CID43153743
Molecular FormulaC10H11F3N2S
Molecular Weight248.27 g/mol
Exact Mass248.06
IUPAC Name2-ethylsulfanyl-5-(trifluoromethyl)benzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(C(F)(F)F)ccc1SCC
InChIInChI=1S/C10H11F3N2S/c1-2-16-8-4-3-6(10(11,12)13)5-7(8)9(14)15/h3-5H,2H2,1H3,(H3,14,15)
InChIKeyYPSRJONWHYRKIZ-UHFFFAOYSA-N
XLogP3.10
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.27
LogP ≤ 53.10
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-ethylsulfanyl-5-(trifluoromethyl)benzenecarboximidamide?
The IUPAC name of 2-ethylsulfanyl-5-(trifluoromethyl)benzenecarboximidamide (CID 43153743) is 2-ethylsulfanyl-5-(trifluoromethyl)benzenecarboximidamide.
What is the SMILES notation for 2-ethylsulfanyl-5-(trifluoromethyl)benzenecarboximidamide?
The canonical SMILES for 2-ethylsulfanyl-5-(trifluoromethyl)benzenecarboximidamide is [H]/N=C(\N)c1cc(C(F)(F)F)ccc1SCC.
What is the InChIKey of 2-ethylsulfanyl-5-(trifluoromethyl)benzenecarboximidamide?
The InChIKey is YPSRJONWHYRKIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N2S/c1-2-16-8-4-3-6(10(11,12)13)5-7(8)9(14)15/h3-5H,2H2,1H3,(H3,14,15).
What are the key properties of 2-ethylsulfanyl-5-(trifluoromethyl)benzenecarboximidamide?
2-ethylsulfanyl-5-(trifluoromethyl)benzenecarboximidamide has a molecular weight of 248.27 g/mol, XLogP of 3.10, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfanyl-5-(trifluoromethyl)benzenecarboximidamide is sourced from PubChem (CID 43153743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).