5-(3,5-dihydroxyphenyl)sulfanylbenzene-1,3-diol

C12H10O4S — CID 3040604

IUPAC5-(3,5-dihydroxyphenyl)sulfanylbenzene-1,3-diol
SMILESOc1cc(O)cc(Sc2cc(O)cc(O)c2)c1
InChIInChI=1S/C12H10O4S/c13-7-1-8(14)4-11(3-7)17-12-5-9(15)2-10(16)6-12/h1-6,13-16H
InChIKeySQOKGOOYYFKAJJ-UHFFFAOYSA-N
MW250.28 g/mol
LogP2.66
Rot. Bonds2

About 5-(3,5-dihydroxyphenyl)sulfanylbenzene-1,3-diol

5-(3,5-dihydroxyphenyl)sulfanylbenzene-1,3-diol (PubChem CID 3040604) has the molecular formula C12H10O4S and a molecular weight of 250.28 g/mol. Its IUPAC name is 5-(3,5-dihydroxyphenyl)sulfanylbenzene-1,3-diol.

Molecular Properties

Compound Name5-(3,5-dihydroxyphenyl)sulfanylbenzene-1,3-diol
PubChem CID3040604
Molecular FormulaC12H10O4S
Molecular Weight250.28 g/mol
Exact Mass250.03
IUPAC Name5-(3,5-dihydroxyphenyl)sulfanylbenzene-1,3-diol
SMILESOc1cc(O)cc(Sc2cc(O)cc(O)c2)c1
InChIInChI=1S/C12H10O4S/c13-7-1-8(14)4-11(3-7)17-12-5-9(15)2-10(16)6-12/h1-6,13-16H
InChIKeySQOKGOOYYFKAJJ-UHFFFAOYSA-N
XLogP2.66
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.28
LogP ≤ 52.66
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(3,5-dihydroxyphenyl)sulfanylbenzene-1,3-diol?
The IUPAC name of 5-(3,5-dihydroxyphenyl)sulfanylbenzene-1,3-diol (CID 3040604) is 5-(3,5-dihydroxyphenyl)sulfanylbenzene-1,3-diol.
What is the SMILES notation for 5-(3,5-dihydroxyphenyl)sulfanylbenzene-1,3-diol?
The canonical SMILES for 5-(3,5-dihydroxyphenyl)sulfanylbenzene-1,3-diol is Oc1cc(O)cc(Sc2cc(O)cc(O)c2)c1.
What is the InChIKey of 5-(3,5-dihydroxyphenyl)sulfanylbenzene-1,3-diol?
The InChIKey is SQOKGOOYYFKAJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10O4S/c13-7-1-8(14)4-11(3-7)17-12-5-9(15)2-10(16)6-12/h1-6,13-16H.
What are the key properties of 5-(3,5-dihydroxyphenyl)sulfanylbenzene-1,3-diol?
5-(3,5-dihydroxyphenyl)sulfanylbenzene-1,3-diol has a molecular weight of 250.28 g/mol, XLogP of 2.66, 2 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,5-dihydroxyphenyl)sulfanylbenzene-1,3-diol is sourced from PubChem (CID 3040604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).