N-(4-bromo-3,5-difluorophenyl)thiohydroxylamine

C6H4BrF2NS — CID 134470743

IUPACN-(4-bromo-3,5-difluorophenyl)thiohydroxylamine
SMILESFc1cc(NS)cc(F)c1Br
InChIInChI=1S/C6H4BrF2NS/c7-6-4(8)1-3(10-11)2-5(6)9/h1-2,10-11H
InChIKeyQUWBACRDSAULSZ-UHFFFAOYSA-N
MW240.07 g/mol
LogP2.98
Rot. Bonds1

About N-(4-bromo-3,5-difluorophenyl)thiohydroxylamine

N-(4-bromo-3,5-difluorophenyl)thiohydroxylamine (PubChem CID 134470743) has the molecular formula C6H4BrF2NS and a molecular weight of 240.07 g/mol. Its IUPAC name is N-(4-bromo-3,5-difluorophenyl)thiohydroxylamine.

Molecular Properties

Compound NameN-(4-bromo-3,5-difluorophenyl)thiohydroxylamine
PubChem CID134470743
Molecular FormulaC6H4BrF2NS
Molecular Weight240.07 g/mol
Exact Mass238.92
IUPAC NameN-(4-bromo-3,5-difluorophenyl)thiohydroxylamine
SMILESFc1cc(NS)cc(F)c1Br
InChIInChI=1S/C6H4BrF2NS/c7-6-4(8)1-3(10-11)2-5(6)9/h1-2,10-11H
InChIKeyQUWBACRDSAULSZ-UHFFFAOYSA-N
XLogP2.98
TPSA12.03 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.07
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3,5-difluorophenyl)thiohydroxylamine?
The IUPAC name of N-(4-bromo-3,5-difluorophenyl)thiohydroxylamine (CID 134470743) is N-(4-bromo-3,5-difluorophenyl)thiohydroxylamine.
What is the SMILES notation for N-(4-bromo-3,5-difluorophenyl)thiohydroxylamine?
The canonical SMILES for N-(4-bromo-3,5-difluorophenyl)thiohydroxylamine is Fc1cc(NS)cc(F)c1Br.
What is the InChIKey of N-(4-bromo-3,5-difluorophenyl)thiohydroxylamine?
The InChIKey is QUWBACRDSAULSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4BrF2NS/c7-6-4(8)1-3(10-11)2-5(6)9/h1-2,10-11H.
What are the key properties of N-(4-bromo-3,5-difluorophenyl)thiohydroxylamine?
N-(4-bromo-3,5-difluorophenyl)thiohydroxylamine has a molecular weight of 240.07 g/mol, XLogP of 2.98, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3,5-difluorophenyl)thiohydroxylamine is sourced from PubChem (CID 134470743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).