gold(1+);4-sulfanylphenol

C6H6AuOS+ — CID 19367562

IUPACgold(1+);4-sulfanylphenol
SMILESOc1ccc(S)cc1.[Au+]
InChIInChI=1S/C6H6OS.Au/c7-5-1-3-6(8)4-2-5;/h1-4,7-8H;/q;+1
InChIKeyLJSZIWIXJWWDAW-UHFFFAOYSA-N
MW323.15 g/mol
LogP1.68
Rot. Bonds

About gold(1+);4-sulfanylphenol

gold(1+);4-sulfanylphenol (PubChem CID 19367562) has the molecular formula C6H6AuOS+ and a molecular weight of 323.15 g/mol. Its IUPAC name is gold(1+);4-sulfanylphenol.

Molecular Properties

Compound Namegold(1+);4-sulfanylphenol
PubChem CID19367562
Molecular FormulaC6H6AuOS+
Molecular Weight323.15 g/mol
Exact Mass322.98
IUPAC Namegold(1+);4-sulfanylphenol
SMILESOc1ccc(S)cc1.[Au+]
InChIInChI=1S/C6H6OS.Au/c7-5-1-3-6(8)4-2-5;/h1-4,7-8H;/q;+1
InChIKeyLJSZIWIXJWWDAW-UHFFFAOYSA-N
XLogP1.68
TPSA20.23 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.15
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[(4-sulfanylphenyl)disulfanyl]phenol
CID 57249064
CID 158795306
CID 158795306
argon;benzene-1,4-diol
CID 71441175
benzene-1,4-diol;hydron
CID 137356428
4-methylbenzenethiol;phenol
CID 174799239
disodium;benzene-1,4-diol;hydride
CID 173178650
calcium;benzene-1,4-diol;hydride
CID 173044185
4-[(4-hydroxyphenyl)-(4-sulfanylphenyl)methylidene]cyclohexa-2,5-dien-1-one
CID 24846867
4-[4-(4-hydroxyphenyl)phenyl]phenol
CID 14496018
(4-hydroxyphenyl)mercury(1+) chloride
CID 76968666
benzene-1,2-diol;benzene-1,4-diol
CID 22646089
bis(benzene-1,4-diol);carbonic acid
CID 68999082

Frequently Asked Questions

What is the IUPAC name of gold(1+);4-sulfanylphenol?
The IUPAC name of gold(1+);4-sulfanylphenol (CID 19367562) is gold(1+);4-sulfanylphenol.
What is the SMILES notation for gold(1+);4-sulfanylphenol?
The canonical SMILES for gold(1+);4-sulfanylphenol is Oc1ccc(S)cc1.[Au+].
What is the InChIKey of gold(1+);4-sulfanylphenol?
The InChIKey is LJSZIWIXJWWDAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6OS.Au/c7-5-1-3-6(8)4-2-5;/h1-4,7-8H;/q;+1.
What are the key properties of gold(1+);4-sulfanylphenol?
gold(1+);4-sulfanylphenol has a molecular weight of 323.15 g/mol, XLogP of 1.68, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for gold(1+);4-sulfanylphenol is sourced from PubChem (CID 19367562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).