phenol;thiohydroxylamine

C12H15NO2S — CID 175057417

IUPACphenol;thiohydroxylamine
SMILESNS.Oc1ccccc1.Oc1ccccc1
InChIInChI=1S/2C6H6O.H3NS/c2*7-6-4-2-1-3-5-6;1-2/h2*1-5,7H;2H,1H2
InChIKeyFNTIHWJAUOWNRF-UHFFFAOYSA-N
MW237.32 g/mol
LogP2.57
Rot. Bonds

About phenol;thiohydroxylamine

phenol;thiohydroxylamine (PubChem CID 175057417) has the molecular formula C12H15NO2S and a molecular weight of 237.32 g/mol. Its IUPAC name is phenol;thiohydroxylamine.

Molecular Properties

Compound Namephenol;thiohydroxylamine
PubChem CID175057417
Molecular FormulaC12H15NO2S
Molecular Weight237.32 g/mol
Exact Mass237.08
IUPAC Namephenol;thiohydroxylamine
SMILESNS.Oc1ccccc1.Oc1ccccc1
InChIInChI=1S/2C6H6O.H3NS/c2*7-6-4-2-1-3-5-6;1-2/h2*1-5,7H;2H,1H2
InChIKeyFNTIHWJAUOWNRF-UHFFFAOYSA-N
XLogP2.57
TPSA66.48 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 52.57
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of phenol;thiohydroxylamine?
The IUPAC name of phenol;thiohydroxylamine (CID 175057417) is phenol;thiohydroxylamine.
What is the SMILES notation for phenol;thiohydroxylamine?
The canonical SMILES for phenol;thiohydroxylamine is NS.Oc1ccccc1.Oc1ccccc1.
What is the InChIKey of phenol;thiohydroxylamine?
The InChIKey is FNTIHWJAUOWNRF-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H6O.H3NS/c2*7-6-4-2-1-3-5-6;1-2/h2*1-5,7H;2H,1H2.
What are the key properties of phenol;thiohydroxylamine?
phenol;thiohydroxylamine has a molecular weight of 237.32 g/mol, XLogP of 2.57, 0 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phenol;thiohydroxylamine is sourced from PubChem (CID 175057417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).