N-(2-benzylphenyl)thiohydroxylamine

C13H13NS — CID 88608695

IUPACN-(2-benzylphenyl)thiohydroxylamine
SMILESSNc1ccccc1Cc1ccccc1
InChIInChI=1S/C13H13NS/c15-14-13-9-5-4-8-12(13)10-11-6-2-1-3-7-11/h1-9,14-15H,10H2
InChIKeyRXPMGVOPFJQNCC-UHFFFAOYSA-N
MW215.32 g/mol
LogP3.53
Rot. Bonds3

About N-(2-benzylphenyl)thiohydroxylamine

N-(2-benzylphenyl)thiohydroxylamine (PubChem CID 88608695) has the molecular formula C13H13NS and a molecular weight of 215.32 g/mol. Its IUPAC name is N-(2-benzylphenyl)thiohydroxylamine.

Molecular Properties

Compound NameN-(2-benzylphenyl)thiohydroxylamine
PubChem CID88608695
Molecular FormulaC13H13NS
Molecular Weight215.32 g/mol
Exact Mass215.08
IUPAC NameN-(2-benzylphenyl)thiohydroxylamine
SMILESSNc1ccccc1Cc1ccccc1
InChIInChI=1S/C13H13NS/c15-14-13-9-5-4-8-12(13)10-11-6-2-1-3-7-11/h1-9,14-15H,10H2
InChIKeyRXPMGVOPFJQNCC-UHFFFAOYSA-N
XLogP3.53
TPSA12.03 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.32
LogP ≤ 53.53
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-(2-benzylphenyl)hydroxylamine
CID 3014197
N,N'-bis(2-benzylphenyl)oxamide
CID 2749119
2-benzyl-N-propan-2-ylaniline
CID 13262632
1-(2-benzylanilino)propan-2-ol
CID 60884761
2-benzyl-N-pentan-3-ylaniline
CID 29272087
2-benzyl-N-(3-fluoropropyl)aniline
CID 81106198
N-(2-benzylphenyl)-1-phenylmethanesulfonamide
CID 8514129
3-(2-benzylanilino)-3-oxopropanoic acid
CID 62230739
2-[2-(sulfanylamino)phenyl]ethanol
CID 88722415
2-benzyl-N-(3,3,3-trifluoropropyl)aniline
CID 64554179
2-benzyl-N-(2-methoxyphenyl)aniline
CID 59889451
2-benzyl-N-(dicyclopropylmethyl)aniline
CID 43362769

Frequently Asked Questions

What is the IUPAC name of N-(2-benzylphenyl)thiohydroxylamine?
The IUPAC name of N-(2-benzylphenyl)thiohydroxylamine (CID 88608695) is N-(2-benzylphenyl)thiohydroxylamine.
What is the SMILES notation for N-(2-benzylphenyl)thiohydroxylamine?
The canonical SMILES for N-(2-benzylphenyl)thiohydroxylamine is SNc1ccccc1Cc1ccccc1.
What is the InChIKey of N-(2-benzylphenyl)thiohydroxylamine?
The InChIKey is RXPMGVOPFJQNCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NS/c15-14-13-9-5-4-8-12(13)10-11-6-2-1-3-7-11/h1-9,14-15H,10H2.
What are the key properties of N-(2-benzylphenyl)thiohydroxylamine?
N-(2-benzylphenyl)thiohydroxylamine has a molecular weight of 215.32 g/mol, XLogP of 3.53, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzylphenyl)thiohydroxylamine is sourced from PubChem (CID 88608695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).