methane;sulfuric acid;hydrate

CH8O5S — CID 174518914

IUPACmethane;sulfuric acid;hydrate
SMILESC.O.O=S(=O)(O)O
InChIInChI=1S/CH4.H2O4S.H2O/c;1-5(2,3)4;/h1H4;(H2,1,2,3,4);1H2
InChIKeyJUFUSDLFHZSPAW-UHFFFAOYSA-N
MW132.14 g/mol
LogP-0.84
Rot. Bonds

About methane;sulfuric acid;hydrate

methane;sulfuric acid;hydrate (PubChem CID 174518914) has the molecular formula CH8O5S and a molecular weight of 132.14 g/mol. Its IUPAC name is methane;sulfuric acid;hydrate.

Molecular Properties

Compound Namemethane;sulfuric acid;hydrate
PubChem CID174518914
Molecular FormulaCH8O5S
Molecular Weight132.14 g/mol
Exact Mass132.01
IUPAC Namemethane;sulfuric acid;hydrate
SMILESC.O.O=S(=O)(O)O
InChIInChI=1S/CH4.H2O4S.H2O/c;1-5(2,3)4;/h1H4;(H2,1,2,3,4);1H2
InChIKeyJUFUSDLFHZSPAW-UHFFFAOYSA-N
XLogP-0.84
TPSA106.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.14
LogP ≤ 5-0.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 174869270
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CID 516917
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methane;sulfuric acid;zirconium
CID 174991893
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CID 131883452
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CID 173200783
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CID 173422966

Frequently Asked Questions

What is the IUPAC name of methane;sulfuric acid;hydrate?
The IUPAC name of methane;sulfuric acid;hydrate (CID 174518914) is methane;sulfuric acid;hydrate.
What is the SMILES notation for methane;sulfuric acid;hydrate?
The canonical SMILES for methane;sulfuric acid;hydrate is C.O.O=S(=O)(O)O.
What is the InChIKey of methane;sulfuric acid;hydrate?
The InChIKey is JUFUSDLFHZSPAW-UHFFFAOYSA-N. The full InChI is InChI=1S/CH4.H2O4S.H2O/c;1-5(2,3)4;/h1H4;(H2,1,2,3,4);1H2.
What are the key properties of methane;sulfuric acid;hydrate?
methane;sulfuric acid;hydrate has a molecular weight of 132.14 g/mol, XLogP of -0.84, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methane;sulfuric acid;hydrate is sourced from PubChem (CID 174518914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).