tris(3-hydroxyphenyl)sulfanium

C18H15O3S+ — CID 59480043

IUPACtris(3-hydroxyphenyl)sulfanium
SMILESOc1cccc([S+](c2cccc(O)c2)c2cccc(O)c2)c1
InChIInChI=1S/C18H14O3S/c19-13-4-1-7-16(10-13)22(17-8-2-5-14(20)11-17)18-9-3-6-15(21)12-18/h1-12H,(H2-,19,20,21)/p+1
InChIKeyJTFJJRIKRAMHLE-UHFFFAOYSA-O
MW311.38 g/mol
LogP3.90
Rot. Bonds3

About tris(3-hydroxyphenyl)sulfanium

tris(3-hydroxyphenyl)sulfanium (PubChem CID 59480043) has the molecular formula C18H15O3S+ and a molecular weight of 311.38 g/mol. Its IUPAC name is tris(3-hydroxyphenyl)sulfanium.

Molecular Properties

Compound Nametris(3-hydroxyphenyl)sulfanium
PubChem CID59480043
Molecular FormulaC18H15O3S+
Molecular Weight311.38 g/mol
Exact Mass311.07
IUPAC Nametris(3-hydroxyphenyl)sulfanium
SMILESOc1cccc([S+](c2cccc(O)c2)c2cccc(O)c2)c1
InChIInChI=1S/C18H14O3S/c19-13-4-1-7-16(10-13)22(17-8-2-5-14(20)11-17)18-9-3-6-15(21)12-18/h1-12H,(H2-,19,20,21)/p+1
InChIKeyJTFJJRIKRAMHLE-UHFFFAOYSA-O
XLogP3.90
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 53.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

benzene-1,3-diol;phenol
CID 23218590
bis(benzene-1,3-diol);hydrate
CID 174320343
bis(benzene-1,3-diol);methane
CID 70633400
benzene-1,3-diol;tris(yttrium)
CID 23386139
benzene-1,3-diol;bis(rutherfordium)
CID 140661178
magnesium;benzene-1,3-diol;oxygen(2-)
CID 158172570
bis(4-hydroxyphenyl)-phenylsulfanium
CID 14453763
bis(benzene-1,3-diol);formaldehyde
CID 174734201
magnesium;phenol;dihydroxide
CID 70562244
(2,4-dihydroxyphenyl)-diphenylsulfanium
CID 22057240
3-[3-(3-hydroxyphenyl)but-2-en-2-yl]phenol
CID 23766294
3-tritiooxyphenol
CID 118553198

Frequently Asked Questions

What is the IUPAC name of tris(3-hydroxyphenyl)sulfanium?
The IUPAC name of tris(3-hydroxyphenyl)sulfanium (CID 59480043) is tris(3-hydroxyphenyl)sulfanium.
What is the SMILES notation for tris(3-hydroxyphenyl)sulfanium?
The canonical SMILES for tris(3-hydroxyphenyl)sulfanium is Oc1cccc([S+](c2cccc(O)c2)c2cccc(O)c2)c1.
What is the InChIKey of tris(3-hydroxyphenyl)sulfanium?
The InChIKey is JTFJJRIKRAMHLE-UHFFFAOYSA-O. The full InChI is InChI=1S/C18H14O3S/c19-13-4-1-7-16(10-13)22(17-8-2-5-14(20)11-17)18-9-3-6-15(21)12-18/h1-12H,(H2-,19,20,21)/p+1.
What are the key properties of tris(3-hydroxyphenyl)sulfanium?
tris(3-hydroxyphenyl)sulfanium has a molecular weight of 311.38 g/mol, XLogP of 3.90, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tris(3-hydroxyphenyl)sulfanium is sourced from PubChem (CID 59480043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).