methanol;sulfuric acid

CH8O9S2 — CID 174902694

IUPACmethanol;sulfuric acid
SMILESCO.O=S(=O)(O)O.O=S(=O)(O)O
InChIInChI=1S/CH4O.2H2O4S/c1-2;2*1-5(2,3)4/h2H,1H3;2*(H2,1,2,3,4)
InChIKeyHOFABLBSKQQSGE-UHFFFAOYSA-N
MW228.20 g/mol
LogP-1.70
Rot. Bonds

About methanol;sulfuric acid

methanol;sulfuric acid (PubChem CID 174902694) has the molecular formula CH8O9S2 and a molecular weight of 228.20 g/mol. Its IUPAC name is methanol;sulfuric acid.

Molecular Properties

Compound Namemethanol;sulfuric acid
PubChem CID174902694
Molecular FormulaCH8O9S2
Molecular Weight228.20 g/mol
Exact Mass227.96
IUPAC Namemethanol;sulfuric acid
SMILESCO.O=S(=O)(O)O.O=S(=O)(O)O
InChIInChI=1S/CH4O.2H2O4S/c1-2;2*1-5(2,3)4/h2H,1H3;2*(H2,1,2,3,4)
InChIKeyHOFABLBSKQQSGE-UHFFFAOYSA-N
XLogP-1.70
TPSA169.43 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.20
LogP ≤ 5-1.70
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

azane;methanol;sulfuric acid;hydrate
CID 174924142
ethane;sulfuric acid
CID 174865721
sulfuric acid;tetramethyl-λ4-sulfane
CID 87168995
sulfuric acid;tetramethylphosphanium
CID 87132357
CID 172733048
CID 172733048
CID 173151388
CID 173151388
azane;sulfuric acid
CID 173165368
CID 131843239
CID 131843239
sulfuric acid;zinc
CID 173312320
cerium;sulfuric acid
CID 45051640
(barium(2+));sulfuric acid
CID 173434226
bismuthane;sulfuric acid
CID 174861750

Frequently Asked Questions

What is the IUPAC name of methanol;sulfuric acid?
The IUPAC name of methanol;sulfuric acid (CID 174902694) is methanol;sulfuric acid.
What is the SMILES notation for methanol;sulfuric acid?
The canonical SMILES for methanol;sulfuric acid is CO.O=S(=O)(O)O.O=S(=O)(O)O.
What is the InChIKey of methanol;sulfuric acid?
The InChIKey is HOFABLBSKQQSGE-UHFFFAOYSA-N. The full InChI is InChI=1S/CH4O.2H2O4S/c1-2;2*1-5(2,3)4/h2H,1H3;2*(H2,1,2,3,4).
What are the key properties of methanol;sulfuric acid?
methanol;sulfuric acid has a molecular weight of 228.20 g/mol, XLogP of -1.70, 0 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methanol;sulfuric acid is sourced from PubChem (CID 174902694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).