hydroxy(methoxy)methanesulfinic acid

C2H6O4S — CID 135238346

IUPAChydroxy(methoxy)methanesulfinic acid
SMILESCOC(O)S(=O)O
InChIInChI=1S/C2H6O4S/c1-6-2(3)7(4)5/h2-3H,1H3,(H,4,5)
InChIKeyMWKPRHUIZGMCLN-UHFFFAOYSA-N
MW126.13 g/mol
LogP-0.87
Rot. Bonds2

About hydroxy(methoxy)methanesulfinic acid

hydroxy(methoxy)methanesulfinic acid (PubChem CID 135238346) has the molecular formula C2H6O4S and a molecular weight of 126.13 g/mol. Its IUPAC name is hydroxy(methoxy)methanesulfinic acid.

Molecular Properties

Compound Namehydroxy(methoxy)methanesulfinic acid
PubChem CID135238346
Molecular FormulaC2H6O4S
Molecular Weight126.13 g/mol
Exact Mass126.00
IUPAC Namehydroxy(methoxy)methanesulfinic acid
SMILESCOC(O)S(=O)O
InChIInChI=1S/C2H6O4S/c1-6-2(3)7(4)5/h2-3H,1H3,(H,4,5)
InChIKeyMWKPRHUIZGMCLN-UHFFFAOYSA-N
XLogP-0.87
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.13
LogP ≤ 5-0.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'sulfinic_acid', 'substructure': 'N/A'}

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Related Compounds

1,2-dihydroxyethane-1,2-disulfinic acid
CID 87186532
ethane-1,1-disulfinic acid
CID 56623500
1-sulfanylethanesulfinic acid
CID 57298371
methanol;methoxymethanediol
CID 162244729
propan-2-ol;sulfur trioxide
CID 174853571
silver;sulfino hydrogen sulfite
CID 174707247
(2S)-1-aminopropane-2-sulfinic acid
CID 167729808
4-methoxybutane-2-sulfinic acid
CID 165449542
1-methoxy-1-oxobutane-2-sulfinic acid
CID 91158451
bromo(methoxy)methanol
CID 54225350
ethane;1-methoxyethanol
CID 157348595
sulfino cyanate
CID 57074304

Frequently Asked Questions

What is the IUPAC name of hydroxy(methoxy)methanesulfinic acid?
The IUPAC name of hydroxy(methoxy)methanesulfinic acid (CID 135238346) is hydroxy(methoxy)methanesulfinic acid.
What is the SMILES notation for hydroxy(methoxy)methanesulfinic acid?
The canonical SMILES for hydroxy(methoxy)methanesulfinic acid is COC(O)S(=O)O.
What is the InChIKey of hydroxy(methoxy)methanesulfinic acid?
The InChIKey is MWKPRHUIZGMCLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H6O4S/c1-6-2(3)7(4)5/h2-3H,1H3,(H,4,5).
What are the key properties of hydroxy(methoxy)methanesulfinic acid?
hydroxy(methoxy)methanesulfinic acid has a molecular weight of 126.13 g/mol, XLogP of -0.87, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxy(methoxy)methanesulfinic acid is sourced from PubChem (CID 135238346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).