sodium hydroxy-(4-hydroxyphenyl)methanesulfinate

C7H7NaO4S — CID 130034318

IUPACsodium hydroxy-(4-hydroxyphenyl)methanesulfinate
SMILESO=S([O-])C(O)c1ccc(O)cc1.[Na+]
InChIInChI=1S/C7H8O4S.Na/c8-6-3-1-5(2-4-6)7(9)12(10)11;/h1-4,7-9H,(H,10,11);/q;+1/p-1
InChIKeyNEJIHGHASPFTPW-UHFFFAOYSA-M
MW210.19 g/mol
LogP-2.73
Rot. Bonds2

About sodium hydroxy-(4-hydroxyphenyl)methanesulfinate

sodium hydroxy-(4-hydroxyphenyl)methanesulfinate (PubChem CID 130034318) has the molecular formula C7H7NaO4S and a molecular weight of 210.19 g/mol. Its IUPAC name is sodium hydroxy-(4-hydroxyphenyl)methanesulfinate.

Molecular Properties

Compound Namesodium hydroxy-(4-hydroxyphenyl)methanesulfinate
PubChem CID130034318
Molecular FormulaC7H7NaO4S
Molecular Weight210.19 g/mol
Exact Mass210.00
IUPAC Namesodium hydroxy-(4-hydroxyphenyl)methanesulfinate
SMILESO=S([O-])C(O)c1ccc(O)cc1.[Na+]
InChIInChI=1S/C7H8O4S.Na/c8-6-3-1-5(2-4-6)7(9)12(10)11;/h1-4,7-9H,(H,10,11);/q;+1/p-1
InChIKeyNEJIHGHASPFTPW-UHFFFAOYSA-M
XLogP-2.73
TPSA80.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.19
LogP ≤ 5-2.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

potassium;sodium;benzene-1,4-diol;hydrogen sulfite;bromide
CID 158157386
sodium;hydride;4-(4-hydroxyphenyl)sulfinylphenol
CID 173421371
4-(2-amino-1-hydroxyethyl)phenol;sulfurous acid
CID 11413666
disodium;benzene-1,4-diol;hydride
CID 173178650
benzene-1,4-diol;formaldehyde;sulfurous acid
CID 70629273
(4-hydroxyphenyl) sulfite
CID 22003406
CID 70480259
CID 70480259
hydrogen sulfite;phenol
CID 53433159
2-hydroxy-1,2-bis(4-hydroxyphenyl)ethanone
CID 15792828
1,5-dihydroxy-1,2,4,5-tetrakis(4-hydroxyphenyl)pentan-3-one
CID 174778705
4-[(4-hydroxyphenyl)-(1,2,2,3,3,4,4,5,5,6,6-undecamethylhexasilinan-1-yl)methyl]phenol
CID 139660990
4-[1-(4-hydroxyphenyl)ethyl]phenol
CID 608116

Frequently Asked Questions

What is the IUPAC name of sodium hydroxy-(4-hydroxyphenyl)methanesulfinate?
The IUPAC name of sodium hydroxy-(4-hydroxyphenyl)methanesulfinate (CID 130034318) is sodium hydroxy-(4-hydroxyphenyl)methanesulfinate.
What is the SMILES notation for sodium hydroxy-(4-hydroxyphenyl)methanesulfinate?
The canonical SMILES for sodium hydroxy-(4-hydroxyphenyl)methanesulfinate is O=S([O-])C(O)c1ccc(O)cc1.[Na+].
What is the InChIKey of sodium hydroxy-(4-hydroxyphenyl)methanesulfinate?
The InChIKey is NEJIHGHASPFTPW-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H8O4S.Na/c8-6-3-1-5(2-4-6)7(9)12(10)11;/h1-4,7-9H,(H,10,11);/q;+1/p-1.
What are the key properties of sodium hydroxy-(4-hydroxyphenyl)methanesulfinate?
sodium hydroxy-(4-hydroxyphenyl)methanesulfinate has a molecular weight of 210.19 g/mol, XLogP of -2.73, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium hydroxy-(4-hydroxyphenyl)methanesulfinate is sourced from PubChem (CID 130034318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).