3-(disulfanyl)propane-1,2-disulfonic acid

C3H8O6S4 — CID 87126443

IUPAC3-(disulfanyl)propane-1,2-disulfonic acid
SMILESO=S(=O)(O)CC(CSS)S(=O)(=O)O
InChIInChI=1S/C3H8O6S4/c4-12(5,6)2-3(1-11-10)13(7,8)9/h3,10H,1-2H2,(H,4,5,6)(H,7,8,9)
InChIKeyGDYNYPMUCGNOND-UHFFFAOYSA-N
MW268.36 g/mol
LogP-0.29
Rot. Bonds5

About 3-(disulfanyl)propane-1,2-disulfonic acid

3-(disulfanyl)propane-1,2-disulfonic acid (PubChem CID 87126443) has the molecular formula C3H8O6S4 and a molecular weight of 268.36 g/mol. Its IUPAC name is 3-(disulfanyl)propane-1,2-disulfonic acid.

Molecular Properties

Compound Name3-(disulfanyl)propane-1,2-disulfonic acid
PubChem CID87126443
Molecular FormulaC3H8O6S4
Molecular Weight268.36 g/mol
Exact Mass267.92
IUPAC Name3-(disulfanyl)propane-1,2-disulfonic acid
SMILESO=S(=O)(O)CC(CSS)S(=O)(=O)O
InChIInChI=1S/C3H8O6S4/c4-12(5,6)2-3(1-11-10)13(7,8)9/h3,10H,1-2H2,(H,4,5,6)(H,7,8,9)
InChIKeyGDYNYPMUCGNOND-UHFFFAOYSA-N
XLogP-0.29
TPSA108.74 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 5-0.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'disulphide', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

3-methoxypropane-1,2-disulfonic acid
CID 58983664
3-ethoxypropane-1,2-disulfonic acid
CID 58983781
6-chlorohexane-1,2,4,5-tetrasulfonic acid
CID 173389801
CID 162308641
CID 162308641
2-sulfanylpropane-1-sulfonic acid
CID 14389616
pentane-1,3,5-trisulfonic acid
CID 89390936
3-anilinopropane-1,2-disulfonic acid
CID 88633278
2,3-bis(sulfanyl)butane-1-sulfonic acid
CID 18953174
1,3-dihydroxybutane-1,4-disulfonic acid
CID 90795169
2-methylbutane-1-sulfonic acid;yttrium
CID 59092791
5-(dimethoxymethylsilyl)pentane-1,2-disulfonic acid
CID 150446105
1-cyanoethane-1,2-disulfonic acid
CID 54414342

Frequently Asked Questions

What is the IUPAC name of 3-(disulfanyl)propane-1,2-disulfonic acid?
The IUPAC name of 3-(disulfanyl)propane-1,2-disulfonic acid (CID 87126443) is 3-(disulfanyl)propane-1,2-disulfonic acid.
What is the SMILES notation for 3-(disulfanyl)propane-1,2-disulfonic acid?
The canonical SMILES for 3-(disulfanyl)propane-1,2-disulfonic acid is O=S(=O)(O)CC(CSS)S(=O)(=O)O.
What is the InChIKey of 3-(disulfanyl)propane-1,2-disulfonic acid?
The InChIKey is GDYNYPMUCGNOND-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8O6S4/c4-12(5,6)2-3(1-11-10)13(7,8)9/h3,10H,1-2H2,(H,4,5,6)(H,7,8,9).
What are the key properties of 3-(disulfanyl)propane-1,2-disulfonic acid?
3-(disulfanyl)propane-1,2-disulfonic acid has a molecular weight of 268.36 g/mol, XLogP of -0.29, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(disulfanyl)propane-1,2-disulfonic acid is sourced from PubChem (CID 87126443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).