N-(4-chlorophenyl)thiohydroxylamine;ethane

C8H12ClNS — CID 156859747

IUPACN-(4-chlorophenyl)thiohydroxylamine;ethane
SMILESCC.SNc1ccc(Cl)cc1
InChIInChI=1S/C6H6ClNS.C2H6/c7-5-1-3-6(8-9)4-2-5;1-2/h1-4,8-9H;1-2H3
InChIKeyLWNBKBURBAXEGE-UHFFFAOYSA-N
MW189.71 g/mol
LogP3.62
Rot. Bonds1

About N-(4-chlorophenyl)thiohydroxylamine;ethane

N-(4-chlorophenyl)thiohydroxylamine;ethane (PubChem CID 156859747) has the molecular formula C8H12ClNS and a molecular weight of 189.71 g/mol. Its IUPAC name is N-(4-chlorophenyl)thiohydroxylamine;ethane.

Molecular Properties

Compound NameN-(4-chlorophenyl)thiohydroxylamine;ethane
PubChem CID156859747
Molecular FormulaC8H12ClNS
Molecular Weight189.71 g/mol
Exact Mass189.04
IUPAC NameN-(4-chlorophenyl)thiohydroxylamine;ethane
SMILESCC.SNc1ccc(Cl)cc1
InChIInChI=1S/C6H6ClNS.C2H6/c7-5-1-3-6(8-9)4-2-5;1-2/h1-4,8-9H;1-2H3
InChIKeyLWNBKBURBAXEGE-UHFFFAOYSA-N
XLogP3.62
TPSA12.03 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.71
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(4-chlorophenyl)thiohydroxylamine;ethane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-chloro-N-methoxyaniline
CID 10397071
(4-chloroanilino)azanium
CID 3818592
4-(4-chlorophenyl)-N-methylaniline;hydrochloride
CID 137319755
4-chloro-N-propan-2-ylaniline;hydrochloride
CID 18349750
azane;1,4-dichlorobenzene
CID 69330361
1-[4-(sulfanylamino)phenyl]ethanone
CID 143142211
4-chloro-N-prop-1-ynylaniline
CID 154137380
4-tert-butyl-N-(4-chlorophenyl)aniline
CID 15533800
amino-(4-chloroanilino)methanol
CID 163644294
N-[(4-chlorophenyl)methyl]thiohydroxylamine
CID 142862441
4-chloro-N-[1-(4-chlorophenyl)ethyl]aniline
CID 43107320
4-chloro-N-trimethoxysilylaniline
CID 71413619

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)thiohydroxylamine;ethane?
The IUPAC name of N-(4-chlorophenyl)thiohydroxylamine;ethane (CID 156859747) is N-(4-chlorophenyl)thiohydroxylamine;ethane.
What is the SMILES notation for N-(4-chlorophenyl)thiohydroxylamine;ethane?
The canonical SMILES for N-(4-chlorophenyl)thiohydroxylamine;ethane is CC.SNc1ccc(Cl)cc1.
What is the InChIKey of N-(4-chlorophenyl)thiohydroxylamine;ethane?
The InChIKey is LWNBKBURBAXEGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6ClNS.C2H6/c7-5-1-3-6(8-9)4-2-5;1-2/h1-4,8-9H;1-2H3.
What are the key properties of N-(4-chlorophenyl)thiohydroxylamine;ethane?
N-(4-chlorophenyl)thiohydroxylamine;ethane has a molecular weight of 189.71 g/mol, XLogP of 3.62, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)thiohydroxylamine;ethane is sourced from PubChem (CID 156859747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).