4-[4-(sulfanylamino)phenoxy]phenol

C12H11NO2S — CID 142074984

IUPAC4-[4-(sulfanylamino)phenoxy]phenol
SMILESOc1ccc(Oc2ccc(NS)cc2)cc1
InChIInChI=1S/C12H11NO2S/c14-10-3-7-12(8-4-10)15-11-5-1-9(13-16)2-6-11/h1-8,13-14,16H
InChIKeyHLIZGDAGKHXQMT-UHFFFAOYSA-N
MW233.29 g/mol
LogP3.44
Rot. Bonds3

About 4-[4-(sulfanylamino)phenoxy]phenol

4-[4-(sulfanylamino)phenoxy]phenol (PubChem CID 142074984) has the molecular formula C12H11NO2S and a molecular weight of 233.29 g/mol. Its IUPAC name is 4-[4-(sulfanylamino)phenoxy]phenol.

Molecular Properties

Compound Name4-[4-(sulfanylamino)phenoxy]phenol
PubChem CID142074984
Molecular FormulaC12H11NO2S
Molecular Weight233.29 g/mol
Exact Mass233.05
IUPAC Name4-[4-(sulfanylamino)phenoxy]phenol
SMILESOc1ccc(Oc2ccc(NS)cc2)cc1
InChIInChI=1S/C12H11NO2S/c14-10-3-7-12(8-4-10)15-11-5-1-9(13-16)2-6-11/h1-8,13-14,16H
InChIKeyHLIZGDAGKHXQMT-UHFFFAOYSA-N
XLogP3.44
TPSA41.49 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.29
LogP ≤ 53.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

bis(4-(4-hydroxyphenoxy)phenol);hydrate
CID 67711282
ethane-1,2-diol;4-(4-hydroxyphenoxy)phenol
CID 68628937
N-(4-hydroxyphenyl)-4-[4-[(4-hydroxyphenyl)sulfamoyl]phenoxy]benzenesulfonamide
CID 129257793
4-(4-iodophenoxy)phenol
CID 12940617
5-[3-(3,5-dihydroxyphenoxy)-5-(4-hydroxyphenoxy)phenoxy]benzene-1,3-diol
CID 139830617
4-[4-(4-tert-butylphenoxy)phenoxy]phenol
CID 143727417
methyl 4-[4-(4-hydroxyphenoxy)phenoxy]benzoate
CID 10314933
4-(4-hydroxyphenoxy)phenol;4-(4-hydroxyphenyl)sulfonylphenol
CID 161283209
N'-(4-fluorophenyl)-4-(4-hydroxyphenoxy)benzohydrazide
CID 172676933
1-[4-[4-(4-hydroxyphenoxy)phenoxy]phenyl]-3-octadecylurea
CID 18183904
4-(4-amino-3-methylphenoxy)phenol
CID 150102226
4-[4-[2-(methylamino)ethyl]phenoxy]phenol
CID 11514269

Frequently Asked Questions

What is the IUPAC name of 4-[4-(sulfanylamino)phenoxy]phenol?
The IUPAC name of 4-[4-(sulfanylamino)phenoxy]phenol (CID 142074984) is 4-[4-(sulfanylamino)phenoxy]phenol.
What is the SMILES notation for 4-[4-(sulfanylamino)phenoxy]phenol?
The canonical SMILES for 4-[4-(sulfanylamino)phenoxy]phenol is Oc1ccc(Oc2ccc(NS)cc2)cc1.
What is the InChIKey of 4-[4-(sulfanylamino)phenoxy]phenol?
The InChIKey is HLIZGDAGKHXQMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO2S/c14-10-3-7-12(8-4-10)15-11-5-1-9(13-16)2-6-11/h1-8,13-14,16H.
What are the key properties of 4-[4-(sulfanylamino)phenoxy]phenol?
4-[4-(sulfanylamino)phenoxy]phenol has a molecular weight of 233.29 g/mol, XLogP of 3.44, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(sulfanylamino)phenoxy]phenol is sourced from PubChem (CID 142074984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).