dipotassium;4-(4-oxidophenyl)sulfanylphenolate

C12H8K2O2S — CID 132541568

IUPACdipotassium;4-(4-oxidophenyl)sulfanylphenolate
SMILES[K+].[K+].[O-]c1ccc(Sc2ccc([O-])cc2)cc1
InChIInChI=1S/C12H10O2S.2K/c13-9-1-5-11(6-2-9)15-12-7-3-10(14)4-8-12;;/h1-8,13-14H;;/q;2*+1/p-2
InChIKeyPMJXPQKUOMELOH-UHFFFAOYSA-L
MW294.46 g/mol
LogP-4.01
Rot. Bonds2

About dipotassium;4-(4-oxidophenyl)sulfanylphenolate

dipotassium;4-(4-oxidophenyl)sulfanylphenolate (PubChem CID 132541568) has the molecular formula C12H8K2O2S and a molecular weight of 294.46 g/mol. Its IUPAC name is dipotassium;4-(4-oxidophenyl)sulfanylphenolate.

Molecular Properties

Compound Namedipotassium;4-(4-oxidophenyl)sulfanylphenolate
PubChem CID132541568
Molecular FormulaC12H8K2O2S
Molecular Weight294.46 g/mol
Exact Mass293.95
IUPAC Namedipotassium;4-(4-oxidophenyl)sulfanylphenolate
SMILES[K+].[K+].[O-]c1ccc(Sc2ccc([O-])cc2)cc1
InChIInChI=1S/C12H10O2S.2K/c13-9-1-5-11(6-2-9)15-12-7-3-10(14)4-8-12;;/h1-8,13-14H;;/q;2*+1/p-2
InChIKeyPMJXPQKUOMELOH-UHFFFAOYSA-L
XLogP-4.01
TPSA46.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.46
LogP ≤ 5-4.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-hydroxyphenyl)sulfanylphenolate
CID 162468559
potassium 4-methylphenolate
CID 23676568
1,4-bis[(4-iodophenyl)sulfanyl]benzene
CID 102405852
4-(4-aminophenyl)sulfanylaniline
CID 8765
[4-(4-arsanylphenyl)sulfanylphenyl]arsane
CID 173131290
4-(4-aminophenyl)sulfanylaniline;pentahydrofluoride
CID 172767370
ethane;1-methyl-4-(4-methylphenyl)sulfanylbenzene
CID 123790982
ethane;1-methylsulfanyl-4-(4-methylsulfanylphenyl)sulfanylbenzene
CID 158374715
dipotassium diphenoxide
CID 15819850
1-nitro-4-(4-nitrophenyl)sulfanylbenzene
CID 14655
4-(4-sulfinatophenyl)sulfanylbenzenesulfinate
CID 174875051
4-pyridin-4-ylsulfanylphenol
CID 15080669

Frequently Asked Questions

What is the IUPAC name of dipotassium;4-(4-oxidophenyl)sulfanylphenolate?
The IUPAC name of dipotassium;4-(4-oxidophenyl)sulfanylphenolate (CID 132541568) is dipotassium;4-(4-oxidophenyl)sulfanylphenolate.
What is the SMILES notation for dipotassium;4-(4-oxidophenyl)sulfanylphenolate?
The canonical SMILES for dipotassium;4-(4-oxidophenyl)sulfanylphenolate is [K+].[K+].[O-]c1ccc(Sc2ccc([O-])cc2)cc1.
What is the InChIKey of dipotassium;4-(4-oxidophenyl)sulfanylphenolate?
The InChIKey is PMJXPQKUOMELOH-UHFFFAOYSA-L. The full InChI is InChI=1S/C12H10O2S.2K/c13-9-1-5-11(6-2-9)15-12-7-3-10(14)4-8-12;;/h1-8,13-14H;;/q;2*+1/p-2.
What are the key properties of dipotassium;4-(4-oxidophenyl)sulfanylphenolate?
dipotassium;4-(4-oxidophenyl)sulfanylphenolate has a molecular weight of 294.46 g/mol, XLogP of -4.01, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dipotassium;4-(4-oxidophenyl)sulfanylphenolate is sourced from PubChem (CID 132541568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).