N-[3,5-dichloro-4-(2-fluorophenyl)phenyl]thiohydroxylamine

C12H8Cl2FNS — CID 130179427

IUPACN-[3,5-dichloro-4-(2-fluorophenyl)phenyl]thiohydroxylamine
SMILESFc1ccccc1-c1c(Cl)cc(NS)cc1Cl
InChIInChI=1S/C12H8Cl2FNS/c13-9-5-7(16-17)6-10(14)12(9)8-3-1-2-4-11(8)15/h1-6,16-17H
InChIKeyRMZJYLALVXVWON-UHFFFAOYSA-N
MW288.17 g/mol
LogP5.06
Rot. Bonds2

About N-[3,5-dichloro-4-(2-fluorophenyl)phenyl]thiohydroxylamine

N-[3,5-dichloro-4-(2-fluorophenyl)phenyl]thiohydroxylamine (PubChem CID 130179427) has the molecular formula C12H8Cl2FNS and a molecular weight of 288.17 g/mol. Its IUPAC name is N-[3,5-dichloro-4-(2-fluorophenyl)phenyl]thiohydroxylamine.

Molecular Properties

Compound NameN-[3,5-dichloro-4-(2-fluorophenyl)phenyl]thiohydroxylamine
PubChem CID130179427
Molecular FormulaC12H8Cl2FNS
Molecular Weight288.17 g/mol
Exact Mass286.97
IUPAC NameN-[3,5-dichloro-4-(2-fluorophenyl)phenyl]thiohydroxylamine
SMILESFc1ccccc1-c1c(Cl)cc(NS)cc1Cl
InChIInChI=1S/C12H8Cl2FNS/c13-9-5-7(16-17)6-10(14)12(9)8-3-1-2-4-11(8)15/h1-6,16-17H
InChIKeyRMZJYLALVXVWON-UHFFFAOYSA-N
XLogP5.06
TPSA12.03 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.17
LogP ≤ 55.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[3,5-dichloro-4-(2-fluorophenyl)phenyl]thiohydroxylamine?
The IUPAC name of N-[3,5-dichloro-4-(2-fluorophenyl)phenyl]thiohydroxylamine (CID 130179427) is N-[3,5-dichloro-4-(2-fluorophenyl)phenyl]thiohydroxylamine.
What is the SMILES notation for N-[3,5-dichloro-4-(2-fluorophenyl)phenyl]thiohydroxylamine?
The canonical SMILES for N-[3,5-dichloro-4-(2-fluorophenyl)phenyl]thiohydroxylamine is Fc1ccccc1-c1c(Cl)cc(NS)cc1Cl.
What is the InChIKey of N-[3,5-dichloro-4-(2-fluorophenyl)phenyl]thiohydroxylamine?
The InChIKey is RMZJYLALVXVWON-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Cl2FNS/c13-9-5-7(16-17)6-10(14)12(9)8-3-1-2-4-11(8)15/h1-6,16-17H.
What are the key properties of N-[3,5-dichloro-4-(2-fluorophenyl)phenyl]thiohydroxylamine?
N-[3,5-dichloro-4-(2-fluorophenyl)phenyl]thiohydroxylamine has a molecular weight of 288.17 g/mol, XLogP of 5.06, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,5-dichloro-4-(2-fluorophenyl)phenyl]thiohydroxylamine is sourced from PubChem (CID 130179427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).