benzene-1,4-diol;formaldehyde;sulfurous acid

C7H10O6S — CID 70629273

IUPACbenzene-1,4-diol;formaldehyde;sulfurous acid
SMILESC=O.O=S(O)O.Oc1ccc(O)cc1
InChIInChI=1S/C6H6O2.CH2O.H2O3S/c7-5-1-2-6(8)4-3-5;1-2;1-4(2)3/h1-4,7-8H;1H2;(H2,1,2,3)
InChIKeyABTBNRULIDMHLT-UHFFFAOYSA-N
MW222.22 g/mol
LogP0.59
Rot. Bonds

About benzene-1,4-diol;formaldehyde;sulfurous acid

benzene-1,4-diol;formaldehyde;sulfurous acid (PubChem CID 70629273) has the molecular formula C7H10O6S and a molecular weight of 222.22 g/mol. Its IUPAC name is benzene-1,4-diol;formaldehyde;sulfurous acid.

Molecular Properties

Compound Namebenzene-1,4-diol;formaldehyde;sulfurous acid
PubChem CID70629273
Molecular FormulaC7H10O6S
Molecular Weight222.22 g/mol
Exact Mass222.02
IUPAC Namebenzene-1,4-diol;formaldehyde;sulfurous acid
SMILESC=O.O=S(O)O.Oc1ccc(O)cc1
InChIInChI=1S/C6H6O2.CH2O.H2O3S/c7-5-1-2-6(8)4-3-5;1-2;1-4(2)3/h1-4,7-8H;1H2;(H2,1,2,3)
InChIKeyABTBNRULIDMHLT-UHFFFAOYSA-N
XLogP0.59
TPSA115.06 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.22
LogP ≤ 50.59
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

potassium;sodium;benzene-1,4-diol;hydrogen sulfite;bromide
CID 158157386
benzene-1,4-diol;hydron
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argon;benzene-1,4-diol
CID 71441175
CID 158795306
CID 158795306
4-(2-amino-1-hydroxyethyl)phenol;sulfurous acid
CID 11413666
bis(benzene-1,4-diol);carbonic acid
CID 68999082
formaldehyde;4-hydroxybenzoic acid
CID 68624082
hydrogen sulfite;phenol
CID 53433159
sodium;hydride;4-(4-hydroxyphenyl)sulfinylphenol
CID 173421371
benzene;formaldehyde;phenol;hydrate
CID 174789223
calcium;benzene-1,4-diol;hydride
CID 173044185
disodium;benzene-1,4-diol;hydride
CID 173178650

Frequently Asked Questions

What is the IUPAC name of benzene-1,4-diol;formaldehyde;sulfurous acid?
The IUPAC name of benzene-1,4-diol;formaldehyde;sulfurous acid (CID 70629273) is benzene-1,4-diol;formaldehyde;sulfurous acid.
What is the SMILES notation for benzene-1,4-diol;formaldehyde;sulfurous acid?
The canonical SMILES for benzene-1,4-diol;formaldehyde;sulfurous acid is C=O.O=S(O)O.Oc1ccc(O)cc1.
What is the InChIKey of benzene-1,4-diol;formaldehyde;sulfurous acid?
The InChIKey is ABTBNRULIDMHLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6O2.CH2O.H2O3S/c7-5-1-2-6(8)4-3-5;1-2;1-4(2)3/h1-4,7-8H;1H2;(H2,1,2,3).
What are the key properties of benzene-1,4-diol;formaldehyde;sulfurous acid?
benzene-1,4-diol;formaldehyde;sulfurous acid has a molecular weight of 222.22 g/mol, XLogP of 0.59, 0 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzene-1,4-diol;formaldehyde;sulfurous acid is sourced from PubChem (CID 70629273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).