ethane-1,2-disulfinic acid

C2H6O4S2 — CID 15180980

IUPACethane-1,2-disulfinic acid
SMILESO=S(O)CCS(=O)O
InChIInChI=1S/C2H6O4S2/c3-7(4)1-2-8(5)6/h1-2H2,(H,3,4)(H,5,6)
InChIKeyVJYUPWDBMTXWOG-UHFFFAOYSA-N
MW158.20 g/mol
LogP-0.57
Rot. Bonds3

About ethane-1,2-disulfinic acid

ethane-1,2-disulfinic acid (PubChem CID 15180980) has the molecular formula C2H6O4S2 and a molecular weight of 158.20 g/mol. Its IUPAC name is ethane-1,2-disulfinic acid.

Molecular Properties

Compound Nameethane-1,2-disulfinic acid
PubChem CID15180980
Molecular FormulaC2H6O4S2
Molecular Weight158.20 g/mol
Exact Mass157.97
IUPAC Nameethane-1,2-disulfinic acid
SMILESO=S(O)CCS(=O)O
InChIInChI=1S/C2H6O4S2/c3-7(4)1-2-8(5)6/h1-2H2,(H,3,4)(H,5,6)
InChIKeyVJYUPWDBMTXWOG-UHFFFAOYSA-N
XLogP-0.57
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 5-0.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethane-1,2-disulfinic acid?
The IUPAC name of ethane-1,2-disulfinic acid (CID 15180980) is ethane-1,2-disulfinic acid.
What is the SMILES notation for ethane-1,2-disulfinic acid?
The canonical SMILES for ethane-1,2-disulfinic acid is O=S(O)CCS(=O)O.
What is the InChIKey of ethane-1,2-disulfinic acid?
The InChIKey is VJYUPWDBMTXWOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H6O4S2/c3-7(4)1-2-8(5)6/h1-2H2,(H,3,4)(H,5,6).
What are the key properties of ethane-1,2-disulfinic acid?
ethane-1,2-disulfinic acid has a molecular weight of 158.20 g/mol, XLogP of -0.57, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane-1,2-disulfinic acid is sourced from PubChem (CID 15180980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).