[(4-phenylphenyl)methylamino] thiohypofluorite

C13H12FNS — CID 138664405

IUPAC[(4-phenylphenyl)methylamino] thiohypofluorite
SMILESFSNCc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C13H12FNS/c14-16-15-10-11-6-8-13(9-7-11)12-4-2-1-3-5-12/h1-9,15H,10H2
InChIKeyDDJYHNPRNIZOPP-UHFFFAOYSA-N
MW233.31 g/mol
LogP3.98
Rot. Bonds4

About [(4-phenylphenyl)methylamino] thiohypofluorite

[(4-phenylphenyl)methylamino] thiohypofluorite (PubChem CID 138664405) has the molecular formula C13H12FNS and a molecular weight of 233.31 g/mol. Its IUPAC name is [(4-phenylphenyl)methylamino] thiohypofluorite.

Molecular Properties

Compound Name[(4-phenylphenyl)methylamino] thiohypofluorite
PubChem CID138664405
Molecular FormulaC13H12FNS
Molecular Weight233.31 g/mol
Exact Mass233.07
IUPAC Name[(4-phenylphenyl)methylamino] thiohypofluorite
SMILESFSNCc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C13H12FNS/c14-16-15-10-11-6-8-13(9-7-11)12-4-2-1-3-5-12/h1-9,15H,10H2
InChIKeyDDJYHNPRNIZOPP-UHFFFAOYSA-N
XLogP3.98
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(4-phenylphenyl)methylamino] thiohypofluorite?
The IUPAC name of [(4-phenylphenyl)methylamino] thiohypofluorite (CID 138664405) is [(4-phenylphenyl)methylamino] thiohypofluorite.
What is the SMILES notation for [(4-phenylphenyl)methylamino] thiohypofluorite?
The canonical SMILES for [(4-phenylphenyl)methylamino] thiohypofluorite is FSNCc1ccc(-c2ccccc2)cc1.
What is the InChIKey of [(4-phenylphenyl)methylamino] thiohypofluorite?
The InChIKey is DDJYHNPRNIZOPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FNS/c14-16-15-10-11-6-8-13(9-7-11)12-4-2-1-3-5-12/h1-9,15H,10H2.
What are the key properties of [(4-phenylphenyl)methylamino] thiohypofluorite?
[(4-phenylphenyl)methylamino] thiohypofluorite has a molecular weight of 233.31 g/mol, XLogP of 3.98, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(4-phenylphenyl)methylamino] thiohypofluorite is sourced from PubChem (CID 138664405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).