N-methyl-N-phenylsulfanylhydroxylamine

C7H9NOS — CID 126575432

IUPACN-methyl-N-phenylsulfanylhydroxylamine
SMILESCN(O)Sc1ccccc1
InChIInChI=1S/C7H9NOS/c1-8(9)10-7-5-3-2-4-6-7/h2-6,9H,1H3
InChIKeyPETXHMJFBLHHKO-UHFFFAOYSA-N
MW155.22 g/mol
LogP2.01
Rot. Bonds2

About N-methyl-N-phenylsulfanylhydroxylamine

N-methyl-N-phenylsulfanylhydroxylamine (PubChem CID 126575432) has the molecular formula C7H9NOS and a molecular weight of 155.22 g/mol. Its IUPAC name is N-methyl-N-phenylsulfanylhydroxylamine.

Molecular Properties

Compound NameN-methyl-N-phenylsulfanylhydroxylamine
PubChem CID126575432
Molecular FormulaC7H9NOS
Molecular Weight155.22 g/mol
Exact Mass155.04
IUPAC NameN-methyl-N-phenylsulfanylhydroxylamine
SMILESCN(O)Sc1ccccc1
InChIInChI=1S/C7H9NOS/c1-8(9)10-7-5-3-2-4-6-7/h2-6,9H,1H3
InChIKeyPETXHMJFBLHHKO-UHFFFAOYSA-N
XLogP2.01
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.22
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

hydrogen peroxide;methylsulfanylbenzene
CID 87661079
phenyl N,N-dimethylcarbamodithioate
CID 11063386
N-methyl-4-[4-[methyl(phenylsulfanyl)amino]phenoxy]-N-phenylsulfanylaniline
CID 175153964
1-ethyl-1-phenylsulfanylurea
CID 22299413
1-phenyl-1-phenylsulfanylhydrazine
CID 18473873
N-butyl-N-phenylsulfanylbutan-1-amine
CID 91484736
N,N-dimethyl-2-phenylsulfanylacetamide
CID 10921439
ethane;1-[phenylsulfanyl(propyl)amino]ethanol
CID 177142250
1,2,2-tris(phenylsulfanyl)ethenylsulfanylbenzene
CID 2755609
N-methyl-4-nitro-N-phenylsulfanylaniline
CID 11097305
N-methyl-N-phenylsilylaniline
CID 174849459
N-ethyl-2-methyl-N-phenylsulfanylpropan-2-amine;2,2,2-trichloroacetic acid
CID 174938121

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-phenylsulfanylhydroxylamine?
The IUPAC name of N-methyl-N-phenylsulfanylhydroxylamine (CID 126575432) is N-methyl-N-phenylsulfanylhydroxylamine.
What is the SMILES notation for N-methyl-N-phenylsulfanylhydroxylamine?
The canonical SMILES for N-methyl-N-phenylsulfanylhydroxylamine is CN(O)Sc1ccccc1.
What is the InChIKey of N-methyl-N-phenylsulfanylhydroxylamine?
The InChIKey is PETXHMJFBLHHKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NOS/c1-8(9)10-7-5-3-2-4-6-7/h2-6,9H,1H3.
What are the key properties of N-methyl-N-phenylsulfanylhydroxylamine?
N-methyl-N-phenylsulfanylhydroxylamine has a molecular weight of 155.22 g/mol, XLogP of 2.01, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-phenylsulfanylhydroxylamine is sourced from PubChem (CID 126575432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).