S-[4-(4-chlorophenoxy)phenyl]thiohydroxylamine

C12H10ClNOS — CID 143260903

IUPACS-[4-(4-chlorophenoxy)phenyl]thiohydroxylamine
SMILESNSc1ccc(Oc2ccc(Cl)cc2)cc1
InChIInChI=1S/C12H10ClNOS/c13-9-1-3-10(4-2-9)15-11-5-7-12(16-14)8-6-11/h1-8H,14H2
InChIKeyBCTJPLXHXLREAT-UHFFFAOYSA-N
MW251.74 g/mol
LogP4.10
Rot. Bonds3

About S-[4-(4-chlorophenoxy)phenyl]thiohydroxylamine

S-[4-(4-chlorophenoxy)phenyl]thiohydroxylamine (PubChem CID 143260903) has the molecular formula C12H10ClNOS and a molecular weight of 251.74 g/mol. Its IUPAC name is S-[4-(4-chlorophenoxy)phenyl]thiohydroxylamine.

Molecular Properties

Compound NameS-[4-(4-chlorophenoxy)phenyl]thiohydroxylamine
PubChem CID143260903
Molecular FormulaC12H10ClNOS
Molecular Weight251.74 g/mol
Exact Mass251.02
IUPAC NameS-[4-(4-chlorophenoxy)phenyl]thiohydroxylamine
SMILESNSc1ccc(Oc2ccc(Cl)cc2)cc1
InChIInChI=1S/C12H10ClNOS/c13-9-1-3-10(4-2-9)15-11-5-7-12(16-14)8-6-11/h1-8H,14H2
InChIKeyBCTJPLXHXLREAT-UHFFFAOYSA-N
XLogP4.10
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.74
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 S-[4-(4-chlorophenoxy)phenyl]thiohydroxylamine?
The IUPAC name of S-[4-(4-chlorophenoxy)phenyl]thiohydroxylamine (CID 143260903) is S-[4-(4-chlorophenoxy)phenyl]thiohydroxylamine.
What is the SMILES notation for S-[4-(4-chlorophenoxy)phenyl]thiohydroxylamine?
The canonical SMILES for S-[4-(4-chlorophenoxy)phenyl]thiohydroxylamine is NSc1ccc(Oc2ccc(Cl)cc2)cc1.
What is the InChIKey of S-[4-(4-chlorophenoxy)phenyl]thiohydroxylamine?
The InChIKey is BCTJPLXHXLREAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClNOS/c13-9-1-3-10(4-2-9)15-11-5-7-12(16-14)8-6-11/h1-8H,14H2.
What are the key properties of S-[4-(4-chlorophenoxy)phenyl]thiohydroxylamine?
S-[4-(4-chlorophenoxy)phenyl]thiohydroxylamine has a molecular weight of 251.74 g/mol, XLogP of 4.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for S-[4-(4-chlorophenoxy)phenyl]thiohydroxylamine is sourced from PubChem (CID 143260903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).