4-(4-methylphenyl)sulfanyl-2-(trifluoromethyl)benzenecarboximidamide

C15H13F3N2S — CID 43320980

IUPAC4-(4-methylphenyl)sulfanyl-2-(trifluoromethyl)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(Sc2ccc(C)cc2)cc1C(F)(F)F
InChIInChI=1S/C15H13F3N2S/c1-9-2-4-10(5-3-9)21-11-6-7-12(14(19)20)13(8-11)15(16,17)18/h2-8H,1H3,(H3,19,20)
InChIKeyUUMNZTQBWPAJLG-UHFFFAOYSA-N
MW310.34 g/mol
LogP4.45
Rot. Bonds3

About 4-(4-methylphenyl)sulfanyl-2-(trifluoromethyl)benzenecarboximidamide

4-(4-methylphenyl)sulfanyl-2-(trifluoromethyl)benzenecarboximidamide (PubChem CID 43320980) has the molecular formula C15H13F3N2S and a molecular weight of 310.34 g/mol. Its IUPAC name is 4-(4-methylphenyl)sulfanyl-2-(trifluoromethyl)benzenecarboximidamide.

Molecular Properties

Compound Name4-(4-methylphenyl)sulfanyl-2-(trifluoromethyl)benzenecarboximidamide
PubChem CID43320980
Molecular FormulaC15H13F3N2S
Molecular Weight310.34 g/mol
Exact Mass310.08
IUPAC Name4-(4-methylphenyl)sulfanyl-2-(trifluoromethyl)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(Sc2ccc(C)cc2)cc1C(F)(F)F
InChIInChI=1S/C15H13F3N2S/c1-9-2-4-10(5-3-9)21-11-6-7-12(14(19)20)13(8-11)15(16,17)18/h2-8H,1H3,(H3,19,20)
InChIKeyUUMNZTQBWPAJLG-UHFFFAOYSA-N
XLogP4.45
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.34
LogP ≤ 54.45
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 4-(4-methylphenyl)sulfanyl-2-(trifluoromethyl)benzenecarboximidamide?
The IUPAC name of 4-(4-methylphenyl)sulfanyl-2-(trifluoromethyl)benzenecarboximidamide (CID 43320980) is 4-(4-methylphenyl)sulfanyl-2-(trifluoromethyl)benzenecarboximidamide.
What is the SMILES notation for 4-(4-methylphenyl)sulfanyl-2-(trifluoromethyl)benzenecarboximidamide?
The canonical SMILES for 4-(4-methylphenyl)sulfanyl-2-(trifluoromethyl)benzenecarboximidamide is [H]/N=C(\N)c1ccc(Sc2ccc(C)cc2)cc1C(F)(F)F.
What is the InChIKey of 4-(4-methylphenyl)sulfanyl-2-(trifluoromethyl)benzenecarboximidamide?
The InChIKey is UUMNZTQBWPAJLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3N2S/c1-9-2-4-10(5-3-9)21-11-6-7-12(14(19)20)13(8-11)15(16,17)18/h2-8H,1H3,(H3,19,20).
What are the key properties of 4-(4-methylphenyl)sulfanyl-2-(trifluoromethyl)benzenecarboximidamide?
4-(4-methylphenyl)sulfanyl-2-(trifluoromethyl)benzenecarboximidamide has a molecular weight of 310.34 g/mol, XLogP of 4.45, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylphenyl)sulfanyl-2-(trifluoromethyl)benzenecarboximidamide is sourced from PubChem (CID 43320980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).