1-hydroxysulfanyl-4-phenoxybenzene

C12H10O2S — CID 140545785

IUPAC1-hydroxysulfanyl-4-phenoxybenzene
SMILESOSc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C12H10O2S/c13-15-12-8-6-11(7-9-12)14-10-4-2-1-3-5-10/h1-9,13H
InChIKeyLHTVUAHSQSUXLE-UHFFFAOYSA-N
MW218.28 g/mol
LogP4.04
Rot. Bonds3

About 1-hydroxysulfanyl-4-phenoxybenzene

1-hydroxysulfanyl-4-phenoxybenzene (PubChem CID 140545785) has the molecular formula C12H10O2S and a molecular weight of 218.28 g/mol. Its IUPAC name is 1-hydroxysulfanyl-4-phenoxybenzene.

Molecular Properties

Compound Name1-hydroxysulfanyl-4-phenoxybenzene
PubChem CID140545785
Molecular FormulaC12H10O2S
Molecular Weight218.28 g/mol
Exact Mass218.04
IUPAC Name1-hydroxysulfanyl-4-phenoxybenzene
SMILESOSc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C12H10O2S/c13-15-12-8-6-11(7-9-12)14-10-4-2-1-3-5-10/h1-9,13H
InChIKeyLHTVUAHSQSUXLE-UHFFFAOYSA-N
XLogP4.04
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.28
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

potassium phenoxybenzene
CID 19858586
iron;phenoxybenzene
CID 174434720
CID 159259752
CID 159259752
1-chloro-4-[4-(4-phenoxyphenyl)sulfanylphenoxy]benzene
CID 139804486
1,3,5-tris[4-(4-phenoxyphenoxy)phenoxy]benzene
CID 167430627
boric acid;phenoxybenzene
CID 66799508
azane;phenoxybenzene;sulfuric acid
CID 66973780
potassium;hydride;phenoxybenzene
CID 173391576
(4-phenoxyphenyl)-triphenylphosphanium
CID 102105381
oxophosphanium;phenoxybenzene
CID 161329594
hydroxy(oxo)phosphanium;phenoxybenzene
CID 162014005
phenoxybenzene;propane-2,2-diol
CID 174556232

Frequently Asked Questions

What is the IUPAC name of 1-hydroxysulfanyl-4-phenoxybenzene?
The IUPAC name of 1-hydroxysulfanyl-4-phenoxybenzene (CID 140545785) is 1-hydroxysulfanyl-4-phenoxybenzene.
What is the SMILES notation for 1-hydroxysulfanyl-4-phenoxybenzene?
The canonical SMILES for 1-hydroxysulfanyl-4-phenoxybenzene is OSc1ccc(Oc2ccccc2)cc1.
What is the InChIKey of 1-hydroxysulfanyl-4-phenoxybenzene?
The InChIKey is LHTVUAHSQSUXLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10O2S/c13-15-12-8-6-11(7-9-12)14-10-4-2-1-3-5-10/h1-9,13H.
What are the key properties of 1-hydroxysulfanyl-4-phenoxybenzene?
1-hydroxysulfanyl-4-phenoxybenzene has a molecular weight of 218.28 g/mol, XLogP of 4.04, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxysulfanyl-4-phenoxybenzene is sourced from PubChem (CID 140545785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).