3-(2,3-dihydroxyphenyl)sulfinylbenzene-1,2-diol

C12H10O5S — CID 22601018

IUPAC3-(2,3-dihydroxyphenyl)sulfinylbenzene-1,2-diol
SMILESO=S(c1cccc(O)c1O)c1cccc(O)c1O
InChIInChI=1S/C12H10O5S/c13-7-3-1-5-9(11(7)15)18(17)10-6-2-4-8(14)12(10)16/h1-6,13-16H
InChIKeyRVEHNWVLSRVXTI-UHFFFAOYSA-N
MW266.27 g/mol
LogP1.68
Rot. Bonds2

About 3-(2,3-dihydroxyphenyl)sulfinylbenzene-1,2-diol

3-(2,3-dihydroxyphenyl)sulfinylbenzene-1,2-diol (PubChem CID 22601018) has the molecular formula C12H10O5S and a molecular weight of 266.27 g/mol. Its IUPAC name is 3-(2,3-dihydroxyphenyl)sulfinylbenzene-1,2-diol.

Molecular Properties

Compound Name3-(2,3-dihydroxyphenyl)sulfinylbenzene-1,2-diol
PubChem CID22601018
Molecular FormulaC12H10O5S
Molecular Weight266.27 g/mol
Exact Mass266.02
IUPAC Name3-(2,3-dihydroxyphenyl)sulfinylbenzene-1,2-diol
SMILESO=S(c1cccc(O)c1O)c1cccc(O)c1O
InChIInChI=1S/C12H10O5S/c13-7-3-1-5-9(11(7)15)18(17)10-6-2-4-8(14)12(10)16/h1-6,13-16H
InChIKeyRVEHNWVLSRVXTI-UHFFFAOYSA-N
XLogP1.68
TPSA97.99 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.27
LogP ≤ 51.68
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

Analyze 3-(2,3-dihydroxyphenyl)sulfinylbenzene-1,2-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(benzenesulfinyl)benzene-1,2-diol
CID 22256980
benzene-1,2,3-triol
CID 87074018
benzene-1,2,3-triol;bismuthane
CID 174447840
benzene-1,2,3-triol;sulfuric acid
CID 121350878
2,3,4-trihydroxybenzenesulfinic acid
CID 174445480
3-phenylbenzene-1,2-diol;sulfurous acid
CID 174366785
calcium bis(2-hydroxy-3-methylbenzenesulfinate)
CID 118541671
benzene-1,2,3-triol;naphthalene
CID 157155506
benzene-1,2-disulfinic acid
CID 19813698
potassium;sodium;benzene-1,2,3-triol;hydride;titanium
CID 174751088
2-(2-carboxyphenyl)sulfinylbenzoic acid;manganese
CID 67782178
2-[(S)-propan-2-ylsulfinyl]phenol
CID 92860046

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydroxyphenyl)sulfinylbenzene-1,2-diol?
The IUPAC name of 3-(2,3-dihydroxyphenyl)sulfinylbenzene-1,2-diol (CID 22601018) is 3-(2,3-dihydroxyphenyl)sulfinylbenzene-1,2-diol.
What is the SMILES notation for 3-(2,3-dihydroxyphenyl)sulfinylbenzene-1,2-diol?
The canonical SMILES for 3-(2,3-dihydroxyphenyl)sulfinylbenzene-1,2-diol is O=S(c1cccc(O)c1O)c1cccc(O)c1O.
What is the InChIKey of 3-(2,3-dihydroxyphenyl)sulfinylbenzene-1,2-diol?
The InChIKey is RVEHNWVLSRVXTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10O5S/c13-7-3-1-5-9(11(7)15)18(17)10-6-2-4-8(14)12(10)16/h1-6,13-16H.
What are the key properties of 3-(2,3-dihydroxyphenyl)sulfinylbenzene-1,2-diol?
3-(2,3-dihydroxyphenyl)sulfinylbenzene-1,2-diol has a molecular weight of 266.27 g/mol, XLogP of 1.68, 2 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydroxyphenyl)sulfinylbenzene-1,2-diol is sourced from PubChem (CID 22601018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).