ethane-1,1-disulfinic acid

C2H6O4S2 — CID 56623500

IUPACethane-1,1-disulfinic acid
SMILESCC(S(=O)O)S(=O)O
InChIInChI=1S/C2H6O4S2/c1-2(7(3)4)8(5)6/h2H,1H3,(H,3,4)(H,5,6)
InChIKeyZEMMRIKPEYPCFY-UHFFFAOYSA-N
MW158.20 g/mol
LogP-0.22
Rot. Bonds2

About ethane-1,1-disulfinic acid

ethane-1,1-disulfinic acid (PubChem CID 56623500) has the molecular formula C2H6O4S2 and a molecular weight of 158.20 g/mol. Its IUPAC name is ethane-1,1-disulfinic acid.

Molecular Properties

Compound Nameethane-1,1-disulfinic acid
PubChem CID56623500
Molecular FormulaC2H6O4S2
Molecular Weight158.20 g/mol
Exact Mass157.97
IUPAC Nameethane-1,1-disulfinic acid
SMILESCC(S(=O)O)S(=O)O
InChIInChI=1S/C2H6O4S2/c1-2(7(3)4)8(5)6/h2H,1H3,(H,3,4)(H,5,6)
InChIKeyZEMMRIKPEYPCFY-UHFFFAOYSA-N
XLogP-0.22
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 5-0.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-sulfanylethanesulfinic acid
CID 57298371
1-hydroxypropane-2-sulfinic acid
CID 57120946
butane-2-sulfinic acid
CID 12672761
1-trimethylsilylethanesulfinic acid
CID 12705343
1,2-dichloropropane-1-sulfinic acid
CID 174269060
propan-2-ol;sulfur trioxide
CID 174853571
(2S)-1-aminopropane-2-sulfinic acid
CID 167729808
2,7-dimethyloctane-3,6-disulfinic acid
CID 57011759
1,1,1-trifluoropropane-2-sulfinic acid
CID 90937368
1,2-dihydroxyethane-1,2-disulfinic acid
CID 87186532
difluoromethanesulfinic acid;zinc
CID 140809876
1-(carbamoylamino)ethanesulfinic acid
CID 141204659

Frequently Asked Questions

What is the IUPAC name of ethane-1,1-disulfinic acid?
The IUPAC name of ethane-1,1-disulfinic acid (CID 56623500) is ethane-1,1-disulfinic acid.
What is the SMILES notation for ethane-1,1-disulfinic acid?
The canonical SMILES for ethane-1,1-disulfinic acid is CC(S(=O)O)S(=O)O.
What is the InChIKey of ethane-1,1-disulfinic acid?
The InChIKey is ZEMMRIKPEYPCFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H6O4S2/c1-2(7(3)4)8(5)6/h2H,1H3,(H,3,4)(H,5,6).
What are the key properties of ethane-1,1-disulfinic acid?
ethane-1,1-disulfinic acid has a molecular weight of 158.20 g/mol, XLogP of -0.22, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane-1,1-disulfinic acid is sourced from PubChem (CID 56623500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).