N-(3-chlorophenyl)thiohydroxylamine

C6H6ClNS — CID 154305883

IUPACN-(3-chlorophenyl)thiohydroxylamine
SMILESSNc1cccc(Cl)c1
InChIInChI=1S/C6H6ClNS/c7-5-2-1-3-6(4-5)8-9/h1-4,8-9H
InChIKeyHJGSXGJHJBZDMG-UHFFFAOYSA-N
MW159.64 g/mol
LogP2.60
Rot. Bonds1

About N-(3-chlorophenyl)thiohydroxylamine

N-(3-chlorophenyl)thiohydroxylamine (PubChem CID 154305883) has the molecular formula C6H6ClNS and a molecular weight of 159.64 g/mol. Its IUPAC name is N-(3-chlorophenyl)thiohydroxylamine.

Molecular Properties

Compound NameN-(3-chlorophenyl)thiohydroxylamine
PubChem CID154305883
Molecular FormulaC6H6ClNS
Molecular Weight159.64 g/mol
Exact Mass158.99
IUPAC NameN-(3-chlorophenyl)thiohydroxylamine
SMILESSNc1cccc(Cl)c1
InChIInChI=1S/C6H6ClNS/c7-5-2-1-3-6(4-5)8-9/h1-4,8-9H
InChIKeyHJGSXGJHJBZDMG-UHFFFAOYSA-N
XLogP2.60
TPSA12.03 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.64
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N,N'-bis(3-chlorophenyl)ethane-1,2-diamine
CID 14274750
(3-chlorophenyl)hydrazine;dihydrochloride
CID 53402731
1-(3-chlorophenyl)-2-fluorohydrazine;hydrochloride
CID 55263538
1,3-dichlorobenzene;sulfanol
CID 174381890
1,3-dichlorobenzene;trihydrofluoride
CID 172846672
azane;1,3-dichlorobenzene
CID 67301049
(2R)-1-(3-chloroanilino)propan-2-ol
CID 39237835
N,N'-bis(3-chlorophenyl)pentanediamide
CID 1011389
N-(3-chlorophenyl)-2,6-difluoroaniline
CID 82536842
(3-chlorophenyl)thiourea
CID 2734794
N'-(3-chlorophenyl)ethane-1,2-diamine
CID 11008376
azanium N-(3-chlorophenyl)carbamodithioate
CID 14386032

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)thiohydroxylamine?
The IUPAC name of N-(3-chlorophenyl)thiohydroxylamine (CID 154305883) is N-(3-chlorophenyl)thiohydroxylamine.
What is the SMILES notation for N-(3-chlorophenyl)thiohydroxylamine?
The canonical SMILES for N-(3-chlorophenyl)thiohydroxylamine is SNc1cccc(Cl)c1.
What is the InChIKey of N-(3-chlorophenyl)thiohydroxylamine?
The InChIKey is HJGSXGJHJBZDMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6ClNS/c7-5-2-1-3-6(4-5)8-9/h1-4,8-9H.
What are the key properties of N-(3-chlorophenyl)thiohydroxylamine?
N-(3-chlorophenyl)thiohydroxylamine has a molecular weight of 159.64 g/mol, XLogP of 2.60, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)thiohydroxylamine is sourced from PubChem (CID 154305883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).