3-(disulfanyl)propanedithioic acid

C3H6S4 — CID 21197306

IUPAC3-(disulfanyl)propanedithioic acid
SMILESS=C(S)CCSS
InChIInChI=1S/C3H6S4/c4-3(5)1-2-7-6/h6H,1-2H2,(H,4,5)
InChIKeyIHADYHJUDSGIDJ-UHFFFAOYSA-N
MW170.35 g/mol
LogP2.21
Rot. Bonds3

About 3-(disulfanyl)propanedithioic acid

3-(disulfanyl)propanedithioic acid (PubChem CID 21197306) has the molecular formula C3H6S4 and a molecular weight of 170.35 g/mol. Its IUPAC name is 3-(disulfanyl)propanedithioic acid.

Molecular Properties

Compound Name3-(disulfanyl)propanedithioic acid
PubChem CID21197306
Molecular FormulaC3H6S4
Molecular Weight170.35 g/mol
Exact Mass169.94
IUPAC Name3-(disulfanyl)propanedithioic acid
SMILESS=C(S)CCSS
InChIInChI=1S/C3H6S4/c4-3(5)1-2-7-6/h6H,1-2H2,(H,4,5)
InChIKeyIHADYHJUDSGIDJ-UHFFFAOYSA-N
XLogP2.21
TPSA0.00 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.35
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(disulfanyl)propanedithioic acid?
The IUPAC name of 3-(disulfanyl)propanedithioic acid (CID 21197306) is 3-(disulfanyl)propanedithioic acid.
What is the SMILES notation for 3-(disulfanyl)propanedithioic acid?
The canonical SMILES for 3-(disulfanyl)propanedithioic acid is S=C(S)CCSS.
What is the InChIKey of 3-(disulfanyl)propanedithioic acid?
The InChIKey is IHADYHJUDSGIDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6S4/c4-3(5)1-2-7-6/h6H,1-2H2,(H,4,5).
What are the key properties of 3-(disulfanyl)propanedithioic acid?
3-(disulfanyl)propanedithioic acid has a molecular weight of 170.35 g/mol, XLogP of 2.21, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(disulfanyl)propanedithioic acid is sourced from PubChem (CID 21197306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).