N-[(4-chlorophenyl)methyl]thiohydroxylamine

C7H8ClNS — CID 142862441

IUPACN-[(4-chlorophenyl)methyl]thiohydroxylamine
SMILESSNCc1ccc(Cl)cc1
InChIInChI=1S/C7H8ClNS/c8-7-3-1-6(2-4-7)5-9-10/h1-4,9-10H,5H2
InChIKeyWSCZOPPNPFZZKS-UHFFFAOYSA-N
MW173.67 g/mol
LogP2.27
Rot. Bonds2

About N-[(4-chlorophenyl)methyl]thiohydroxylamine

N-[(4-chlorophenyl)methyl]thiohydroxylamine (PubChem CID 142862441) has the molecular formula C7H8ClNS and a molecular weight of 173.67 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]thiohydroxylamine.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]thiohydroxylamine
PubChem CID142862441
Molecular FormulaC7H8ClNS
Molecular Weight173.67 g/mol
Exact Mass173.01
IUPAC NameN-[(4-chlorophenyl)methyl]thiohydroxylamine
SMILESSNCc1ccc(Cl)cc1
InChIInChI=1S/C7H8ClNS/c8-7-3-1-6(2-4-7)5-9-10/h1-4,9-10H,5H2
InChIKeyWSCZOPPNPFZZKS-UHFFFAOYSA-N
XLogP2.27
TPSA12.03 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.67
LogP ≤ 52.27
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

1,2-bis[(4-chlorophenyl)methyl]hydrazine;dihydrochloride
CID 20519808
1-(4-chlorophenyl)-N-oxidomethanamine
CID 162516250
(4-chlorophenyl)methylhydrazine;hydrochloride
CID 3058470
N,N'-bis[(4-chlorophenyl)methyl]butane-1,4-diamine
CID 131985015
N-[(4-chlorophenyl)methyl]methanethioamide
CID 58279664
N"-[(4-chlorophenyl)methyl]methanetriamine
CID 143471410
1-[4-(4-chlorophenyl)phenyl]-N-phosphanylmethanamine
CID 143489963
N-[(4-chlorophenyl)methyl]-1-(4-ethylphenyl)methanamine
CID 29031068
1-[4-(4-chlorophenyl)phenyl]-N-methylmethanamine
CID 11424756
N,N'-bis[(4-chlorophenyl)methyl]ethanedithioamide
CID 3033254
N-[(4-chlorophenyl)methyl]-1,1,1-trifluoromethanamine
CID 71648881
1-[(4-chlorophenyl)methylamino]propan-2-ol;hydrochloride
CID 17290383

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]thiohydroxylamine?
The IUPAC name of N-[(4-chlorophenyl)methyl]thiohydroxylamine (CID 142862441) is N-[(4-chlorophenyl)methyl]thiohydroxylamine.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]thiohydroxylamine?
The canonical SMILES for N-[(4-chlorophenyl)methyl]thiohydroxylamine is SNCc1ccc(Cl)cc1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]thiohydroxylamine?
The InChIKey is WSCZOPPNPFZZKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8ClNS/c8-7-3-1-6(2-4-7)5-9-10/h1-4,9-10H,5H2.
What are the key properties of N-[(4-chlorophenyl)methyl]thiohydroxylamine?
N-[(4-chlorophenyl)methyl]thiohydroxylamine has a molecular weight of 173.67 g/mol, XLogP of 2.27, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]thiohydroxylamine is sourced from PubChem (CID 142862441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).