N-(phenoxymethyl)thiohydroxylamine

C7H9NOS — CID 126590896

IUPACN-(phenoxymethyl)thiohydroxylamine
SMILESSNCOc1ccccc1
InChIInChI=1S/C7H9NOS/c10-8-6-9-7-4-2-1-3-5-7/h1-5,8,10H,6H2
InChIKeyZKBWLLMLWSIIPH-UHFFFAOYSA-N
MW155.22 g/mol
LogP1.46
Rot. Bonds3

About N-(phenoxymethyl)thiohydroxylamine

N-(phenoxymethyl)thiohydroxylamine (PubChem CID 126590896) has the molecular formula C7H9NOS and a molecular weight of 155.22 g/mol. Its IUPAC name is N-(phenoxymethyl)thiohydroxylamine.

Molecular Properties

Compound NameN-(phenoxymethyl)thiohydroxylamine
PubChem CID126590896
Molecular FormulaC7H9NOS
Molecular Weight155.22 g/mol
Exact Mass155.04
IUPAC NameN-(phenoxymethyl)thiohydroxylamine
SMILESSNCOc1ccccc1
InChIInChI=1S/C7H9NOS/c10-8-6-9-7-4-2-1-3-5-7/h1-5,8,10H,6H2
InChIKeyZKBWLLMLWSIIPH-UHFFFAOYSA-N
XLogP1.46
TPSA21.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.22
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

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CID 163598363
3-phenoxypropane-1-thiol
CID 18792707
[(E)-3-nitroprop-2-enoxy]benzene
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ethoxybenzene chloride
CID 21193593
(2R)-1-[[(2S)-2-hydroxy-3-phenoxypropyl]amino]-3-phenoxypropan-2-ol
CID 7037801
1-butan-2-yl-3-(phenoxymethyl)urea
CID 108888781
2-(phenoxymethyl)propane-1,1,3,3-tetrol
CID 173269975
1,5-diphenoxypentan-3-ol
CID 5314309
N-(2-phenoxyethoxy)methanamine
CID 117126931
7-phenoxyheptan-1-ol
CID 15856264
3-phenoxy-N-(3-phenoxypropyl)propan-1-amine;hydrochloride
CID 18793133
ethoxybenzene;molecular iodine
CID 67763605

Frequently Asked Questions

What is the IUPAC name of N-(phenoxymethyl)thiohydroxylamine?
The IUPAC name of N-(phenoxymethyl)thiohydroxylamine (CID 126590896) is N-(phenoxymethyl)thiohydroxylamine.
What is the SMILES notation for N-(phenoxymethyl)thiohydroxylamine?
The canonical SMILES for N-(phenoxymethyl)thiohydroxylamine is SNCOc1ccccc1.
What is the InChIKey of N-(phenoxymethyl)thiohydroxylamine?
The InChIKey is ZKBWLLMLWSIIPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NOS/c10-8-6-9-7-4-2-1-3-5-7/h1-5,8,10H,6H2.
What are the key properties of N-(phenoxymethyl)thiohydroxylamine?
N-(phenoxymethyl)thiohydroxylamine has a molecular weight of 155.22 g/mol, XLogP of 1.46, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(phenoxymethyl)thiohydroxylamine is sourced from PubChem (CID 126590896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).