ethane-1,2-disulfonic acid;methane

C3H10O6S2 — CID 161397392

IUPACethane-1,2-disulfonic acid;methane
SMILESC.O=S(=O)(O)CCS(=O)(=O)O
InChIInChI=1S/C2H6O6S2.CH4/c3-9(4,5)1-2-10(6,7)8;/h1-2H2,(H,3,4,5)(H,6,7,8);1H4
InChIKeyVTTZPEKCOONXHC-UHFFFAOYSA-N
MW206.24 g/mol
LogP-0.60
Rot. Bonds3

About ethane-1,2-disulfonic acid;methane

ethane-1,2-disulfonic acid;methane (PubChem CID 161397392) has the molecular formula C3H10O6S2 and a molecular weight of 206.24 g/mol. Its IUPAC name is ethane-1,2-disulfonic acid;methane.

Molecular Properties

Compound Nameethane-1,2-disulfonic acid;methane
PubChem CID161397392
Molecular FormulaC3H10O6S2
Molecular Weight206.24 g/mol
Exact Mass205.99
IUPAC Nameethane-1,2-disulfonic acid;methane
SMILESC.O=S(=O)(O)CCS(=O)(=O)O
InChIInChI=1S/C2H6O6S2.CH4/c3-9(4,5)1-2-10(6,7)8;/h1-2H2,(H,3,4,5)(H,6,7,8);1H4
InChIKeyVTTZPEKCOONXHC-UHFFFAOYSA-N
XLogP-0.60
TPSA108.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 5-0.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

calcium;ethane-1,2-disulfonic acid;hydride
CID 173073207
ethane-1,2-disulfonic acid;piperazine
CID 174840116
2-(2-sulfoethylsulfonyloxysulfonyl)ethanesulfonic acid
CID 87128284
octane-1,8-disulfonic acid
CID 18172926
CID 88853027
CID 88853027
pentane-1,5-disulfonic acid;hydrate
CID 133062445
butane-1,4-disulfonic acid;ethene
CID 173210763
2-hydroxyethanesulfonic acid;silver
CID 87209091
lithium;hydride;2-hydroxyethanesulfonic acid
CID 173041120
methane;2-(methylamino)ethanesulfonic acid
CID 160562467
Ethanesulfonic acid,2-amino-, sodium salt (1:1)
CID 53471337
strontium;hexane-1,6-disulfonic acid;hydride
CID 173065455

Frequently Asked Questions

What is the IUPAC name of ethane-1,2-disulfonic acid;methane?
The IUPAC name of ethane-1,2-disulfonic acid;methane (CID 161397392) is ethane-1,2-disulfonic acid;methane.
What is the SMILES notation for ethane-1,2-disulfonic acid;methane?
The canonical SMILES for ethane-1,2-disulfonic acid;methane is C.O=S(=O)(O)CCS(=O)(=O)O.
What is the InChIKey of ethane-1,2-disulfonic acid;methane?
The InChIKey is VTTZPEKCOONXHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H6O6S2.CH4/c3-9(4,5)1-2-10(6,7)8;/h1-2H2,(H,3,4,5)(H,6,7,8);1H4.
What are the key properties of ethane-1,2-disulfonic acid;methane?
ethane-1,2-disulfonic acid;methane has a molecular weight of 206.24 g/mol, XLogP of -0.60, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane-1,2-disulfonic acid;methane is sourced from PubChem (CID 161397392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).