2-butan-2-ylsulfanyl-N'-hydroxy-5-(trifluoromethyl)benzenecarboximidamide

C12H15F3N2OS — CID 43331419

IUPAC2-butan-2-ylsulfanyl-N'-hydroxy-5-(trifluoromethyl)benzenecarboximidamide
SMILESCCC(C)Sc1ccc(C(F)(F)F)cc1/C(N)=N/O
InChIInChI=1S/C12H15F3N2OS/c1-3-7(2)19-10-5-4-8(12(13,14)15)6-9(10)11(16)17-18/h4-7,18H,3H2,1-2H3,(H2,16,17)
InChIKeyFTGBLXFAUAOAQD-UHFFFAOYSA-N
MW292.33 g/mol
LogP3.69
Rot. Bonds4

About 2-butan-2-ylsulfanyl-N'-hydroxy-5-(trifluoromethyl)benzenecarboximidamide

2-butan-2-ylsulfanyl-N'-hydroxy-5-(trifluoromethyl)benzenecarboximidamide (PubChem CID 43331419) has the molecular formula C12H15F3N2OS and a molecular weight of 292.33 g/mol. Its IUPAC name is 2-butan-2-ylsulfanyl-N'-hydroxy-5-(trifluoromethyl)benzenecarboximidamide.

Molecular Properties

Compound Name2-butan-2-ylsulfanyl-N'-hydroxy-5-(trifluoromethyl)benzenecarboximidamide
PubChem CID43331419
Molecular FormulaC12H15F3N2OS
Molecular Weight292.33 g/mol
Exact Mass292.09
IUPAC Name2-butan-2-ylsulfanyl-N'-hydroxy-5-(trifluoromethyl)benzenecarboximidamide
SMILESCCC(C)Sc1ccc(C(F)(F)F)cc1/C(N)=N/O
InChIInChI=1S/C12H15F3N2OS/c1-3-7(2)19-10-5-4-8(12(13,14)15)6-9(10)11(16)17-18/h4-7,18H,3H2,1-2H3,(H2,16,17)
InChIKeyFTGBLXFAUAOAQD-UHFFFAOYSA-N
XLogP3.69
TPSA58.61 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 53.69
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'}

Analyze 2-butan-2-ylsulfanyl-N'-hydroxy-5-(trifluoromethyl)benzenecarboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-butan-2-ylsulfanyl-N'-hydroxy-5-(trifluoromethyl)benzenecarboximidamide?
The IUPAC name of 2-butan-2-ylsulfanyl-N'-hydroxy-5-(trifluoromethyl)benzenecarboximidamide (CID 43331419) is 2-butan-2-ylsulfanyl-N'-hydroxy-5-(trifluoromethyl)benzenecarboximidamide.
What is the SMILES notation for 2-butan-2-ylsulfanyl-N'-hydroxy-5-(trifluoromethyl)benzenecarboximidamide?
The canonical SMILES for 2-butan-2-ylsulfanyl-N'-hydroxy-5-(trifluoromethyl)benzenecarboximidamide is CCC(C)Sc1ccc(C(F)(F)F)cc1/C(N)=N/O.
What is the InChIKey of 2-butan-2-ylsulfanyl-N'-hydroxy-5-(trifluoromethyl)benzenecarboximidamide?
The InChIKey is FTGBLXFAUAOAQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2OS/c1-3-7(2)19-10-5-4-8(12(13,14)15)6-9(10)11(16)17-18/h4-7,18H,3H2,1-2H3,(H2,16,17).
What are the key properties of 2-butan-2-ylsulfanyl-N'-hydroxy-5-(trifluoromethyl)benzenecarboximidamide?
2-butan-2-ylsulfanyl-N'-hydroxy-5-(trifluoromethyl)benzenecarboximidamide has a molecular weight of 292.33 g/mol, XLogP of 3.69, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butan-2-ylsulfanyl-N'-hydroxy-5-(trifluoromethyl)benzenecarboximidamide is sourced from PubChem (CID 43331419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).