O-(2-chloro-5-methylphenyl)sulfanylhydroxylamine

C7H8ClNOS — CID 143470684

IUPACO-(2-chloro-5-methylphenyl)sulfanylhydroxylamine
SMILESCc1ccc(Cl)c(SON)c1
InChIInChI=1S/C7H8ClNOS/c1-5-2-3-6(8)7(4-5)11-10-9/h2-4H,9H2,1H3
InChIKeyVNUHNXWZKIOHIY-UHFFFAOYSA-N
MW189.67 g/mol
LogP2.55
Rot. Bonds2

About O-(2-chloro-5-methylphenyl)sulfanylhydroxylamine

O-(2-chloro-5-methylphenyl)sulfanylhydroxylamine (PubChem CID 143470684) has the molecular formula C7H8ClNOS and a molecular weight of 189.67 g/mol. Its IUPAC name is O-(2-chloro-5-methylphenyl)sulfanylhydroxylamine.

Molecular Properties

Compound NameO-(2-chloro-5-methylphenyl)sulfanylhydroxylamine
PubChem CID143470684
Molecular FormulaC7H8ClNOS
Molecular Weight189.67 g/mol
Exact Mass189.00
IUPAC NameO-(2-chloro-5-methylphenyl)sulfanylhydroxylamine
SMILESCc1ccc(Cl)c(SON)c1
InChIInChI=1S/C7H8ClNOS/c1-5-2-3-6(8)7(4-5)11-10-9/h2-4H,9H2,1H3
InChIKeyVNUHNXWZKIOHIY-UHFFFAOYSA-N
XLogP2.55
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.67
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'sulfur_oxygen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of O-(2-chloro-5-methylphenyl)sulfanylhydroxylamine?
The IUPAC name of O-(2-chloro-5-methylphenyl)sulfanylhydroxylamine (CID 143470684) is O-(2-chloro-5-methylphenyl)sulfanylhydroxylamine.
What is the SMILES notation for O-(2-chloro-5-methylphenyl)sulfanylhydroxylamine?
The canonical SMILES for O-(2-chloro-5-methylphenyl)sulfanylhydroxylamine is Cc1ccc(Cl)c(SON)c1.
What is the InChIKey of O-(2-chloro-5-methylphenyl)sulfanylhydroxylamine?
The InChIKey is VNUHNXWZKIOHIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8ClNOS/c1-5-2-3-6(8)7(4-5)11-10-9/h2-4H,9H2,1H3.
What are the key properties of O-(2-chloro-5-methylphenyl)sulfanylhydroxylamine?
O-(2-chloro-5-methylphenyl)sulfanylhydroxylamine has a molecular weight of 189.67 g/mol, XLogP of 2.55, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for O-(2-chloro-5-methylphenyl)sulfanylhydroxylamine is sourced from PubChem (CID 143470684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).