S-[4-[[2-(1H-imidazol-5-yl)phenoxy]methyl]phenyl]thiohydroxylamine

C16H15N3OS — CID 143884941

IUPACS-[4-[[2-(1H-imidazol-5-yl)phenoxy]methyl]phenyl]thiohydroxylamine
SMILESNSc1ccc(COc2ccccc2-c2cnc[nH]2)cc1
InChIInChI=1S/C16H15N3OS/c17-21-13-7-5-12(6-8-13)10-20-16-4-2-1-3-14(16)15-9-18-11-19-15/h1-9,11H,10,17H2,(H,18,19)
InChIKeyDVXMQXARMYLCOR-UHFFFAOYSA-N
MW297.38 g/mol
LogP3.62
Rot. Bonds5

About S-[4-[[2-(1H-imidazol-5-yl)phenoxy]methyl]phenyl]thiohydroxylamine

S-[4-[[2-(1H-imidazol-5-yl)phenoxy]methyl]phenyl]thiohydroxylamine (PubChem CID 143884941) has the molecular formula C16H15N3OS and a molecular weight of 297.38 g/mol. Its IUPAC name is S-[4-[[2-(1H-imidazol-5-yl)phenoxy]methyl]phenyl]thiohydroxylamine.

Molecular Properties

Compound NameS-[4-[[2-(1H-imidazol-5-yl)phenoxy]methyl]phenyl]thiohydroxylamine
PubChem CID143884941
Molecular FormulaC16H15N3OS
Molecular Weight297.38 g/mol
Exact Mass297.09
IUPAC NameS-[4-[[2-(1H-imidazol-5-yl)phenoxy]methyl]phenyl]thiohydroxylamine
SMILESNSc1ccc(COc2ccccc2-c2cnc[nH]2)cc1
InChIInChI=1S/C16H15N3OS/c17-21-13-7-5-12(6-8-13)10-20-16-4-2-1-3-14(16)15-9-18-11-19-15/h1-9,11H,10,17H2,(H,18,19)
InChIKeyDVXMQXARMYLCOR-UHFFFAOYSA-N
XLogP3.62
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl 4-[[2-(1H-imidazol-5-yl)phenoxy]methyl]benzoate
CID 67207597
N-[[4-[[2-(1H-imidazol-5-yl)phenoxy]methyl]phenyl]methyl]acetamide
CID 58294111
5-[2-(1-benzofuran-5-ylmethoxy)phenyl]-1H-imidazole
CID 52935729
4-[[2-(1H-imidazol-5-yl)phenoxy]methyl]-1,3-thiazole
CID 70925852
2-[2-(1H-imidazol-5-yl)phenoxy]acetaldehyde
CID 143884984
2-[3-[[2-(1H-imidazol-5-yl)phenoxy]methyl]phenyl]-N-methylacetamide
CID 58294229
4-[2-[2-(1H-imidazol-5-yl)phenoxy]ethyl]-N-methylaniline
CID 143884976
1-[4-[2-[2-(1H-imidazol-5-yl)phenoxy]ethyl]phenyl]-3-phenylpropane-2-thione
CID 159392368
5-[2-(2-pyrrol-1-ylethoxy)phenyl]-1H-imidazole
CID 58294140
5-[2-[2-[4-(benzylsulfonylmethyl)phenyl]ethoxy]phenyl]-1H-imidazole
CID 147036147
5-[2-(2-thiophen-2-ylethoxy)phenyl]-1H-imidazole
CID 52933204
N-[2-[2-(1H-imidazol-5-yl)phenoxy]ethyl]pyrimidin-2-amine
CID 67222889

Frequently Asked Questions

What is the IUPAC name of S-[4-[[2-(1H-imidazol-5-yl)phenoxy]methyl]phenyl]thiohydroxylamine?
The IUPAC name of S-[4-[[2-(1H-imidazol-5-yl)phenoxy]methyl]phenyl]thiohydroxylamine (CID 143884941) is S-[4-[[2-(1H-imidazol-5-yl)phenoxy]methyl]phenyl]thiohydroxylamine.
What is the SMILES notation for S-[4-[[2-(1H-imidazol-5-yl)phenoxy]methyl]phenyl]thiohydroxylamine?
The canonical SMILES for S-[4-[[2-(1H-imidazol-5-yl)phenoxy]methyl]phenyl]thiohydroxylamine is NSc1ccc(COc2ccccc2-c2cnc[nH]2)cc1.
What is the InChIKey of S-[4-[[2-(1H-imidazol-5-yl)phenoxy]methyl]phenyl]thiohydroxylamine?
The InChIKey is DVXMQXARMYLCOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3OS/c17-21-13-7-5-12(6-8-13)10-20-16-4-2-1-3-14(16)15-9-18-11-19-15/h1-9,11H,10,17H2,(H,18,19).
What are the key properties of S-[4-[[2-(1H-imidazol-5-yl)phenoxy]methyl]phenyl]thiohydroxylamine?
S-[4-[[2-(1H-imidazol-5-yl)phenoxy]methyl]phenyl]thiohydroxylamine has a molecular weight of 297.38 g/mol, XLogP of 3.62, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for S-[4-[[2-(1H-imidazol-5-yl)phenoxy]methyl]phenyl]thiohydroxylamine is sourced from PubChem (CID 143884941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).