N-(2-methylsulfanylphenyl)hydroxylamine

C7H9NOS — CID 166768546

IUPACN-(2-methylsulfanylphenyl)hydroxylamine
SMILESCSc1ccccc1NO
InChIInChI=1S/C7H9NOS/c1-10-7-5-3-2-4-6(7)8-9/h2-5,8-9H,1H3
InChIKeySTZBSIKTEZSSDF-UHFFFAOYSA-N
MW155.22 g/mol
LogP2.21
Rot. Bonds2

About N-(2-methylsulfanylphenyl)hydroxylamine

N-(2-methylsulfanylphenyl)hydroxylamine (PubChem CID 166768546) has the molecular formula C7H9NOS and a molecular weight of 155.22 g/mol. Its IUPAC name is N-(2-methylsulfanylphenyl)hydroxylamine.

Molecular Properties

Compound NameN-(2-methylsulfanylphenyl)hydroxylamine
PubChem CID166768546
Molecular FormulaC7H9NOS
Molecular Weight155.22 g/mol
Exact Mass155.04
IUPAC NameN-(2-methylsulfanylphenyl)hydroxylamine
SMILESCSc1ccccc1NO
InChIInChI=1S/C7H9NOS/c1-10-7-5-3-2-4-6(7)8-9/h2-5,8-9H,1H3
InChIKeySTZBSIKTEZSSDF-UHFFFAOYSA-N
XLogP2.21
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.22
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(2-methylsulfanylphenyl)hydroxylamine 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

2-[1-(2-methylsulfanylanilino)ethyl]phenol
CID 43683498
2-methylsulfanyl-N-(propan-2-ylideneamino)aniline
CID 130677870
N-(1,1-difluoropropan-2-yl)-2-methylsulfanylaniline
CID 102868390
N-tert-butyl-2-methylsulfanylaniline
CID 121217265
2-methylsulfanyl-N-trimethylsilylaniline
CID 22717583
N-methoxy-2-methylsulfanylaniline
CID 142183947
4-[1-(2-methylsulfanylanilino)ethyl]phenol
CID 43683440
2-methylsulfanyl-N-(trifluoromethyl)aniline
CID 71648542
N-(2-methyl-6-methylsulfanylphenyl)hydroxylamine
CID 134481194
diethyl 2-(2-methylsulfanylanilino)propanedioate
CID 15142020
1-(2-methylsulfanylphenyl)-3-propan-2-ylurea
CID 23548353
1-(2-methylsulfanylphenyl)-3-phenylurea
CID 966909

Frequently Asked Questions

What is the IUPAC name of N-(2-methylsulfanylphenyl)hydroxylamine?
The IUPAC name of N-(2-methylsulfanylphenyl)hydroxylamine (CID 166768546) is N-(2-methylsulfanylphenyl)hydroxylamine.
What is the SMILES notation for N-(2-methylsulfanylphenyl)hydroxylamine?
The canonical SMILES for N-(2-methylsulfanylphenyl)hydroxylamine is CSc1ccccc1NO.
What is the InChIKey of N-(2-methylsulfanylphenyl)hydroxylamine?
The InChIKey is STZBSIKTEZSSDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NOS/c1-10-7-5-3-2-4-6(7)8-9/h2-5,8-9H,1H3.
What are the key properties of N-(2-methylsulfanylphenyl)hydroxylamine?
N-(2-methylsulfanylphenyl)hydroxylamine has a molecular weight of 155.22 g/mol, XLogP of 2.21, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylsulfanylphenyl)hydroxylamine is sourced from PubChem (CID 166768546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).