ethane-1,2-dithiolate

C2H4S2-2 — CID 22937149

IUPACethane-1,2-dithiolate
SMILES[S-]CC[S-]
InChIInChI=1S/C2H6S2/c3-1-2-4/h3-4H,1-2H2/p-2
InChIKeyVYMPLPIFKRHAAC-UHFFFAOYSA-L
MW92.19 g/mol
LogP0.08
Rot. Bonds1

About ethane-1,2-dithiolate

ethane-1,2-dithiolate (PubChem CID 22937149) has the molecular formula C2H4S2-2 and a molecular weight of 92.19 g/mol. Its IUPAC name is ethane-1,2-dithiolate.

Molecular Properties

Compound Nameethane-1,2-dithiolate
PubChem CID22937149
Molecular FormulaC2H4S2-2
Molecular Weight92.19 g/mol
Exact Mass91.98
IUPAC Nameethane-1,2-dithiolate
SMILES[S-]CC[S-]
InChIInChI=1S/C2H6S2/c3-1-2-4/h3-4H,1-2H2/p-2
InChIKeyVYMPLPIFKRHAAC-UHFFFAOYSA-L
XLogP0.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms4
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50092.19
LogP ≤ 50.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethane-1,2-dithiolate?
The IUPAC name of ethane-1,2-dithiolate (CID 22937149) is ethane-1,2-dithiolate.
What is the SMILES notation for ethane-1,2-dithiolate?
The canonical SMILES for ethane-1,2-dithiolate is [S-]CC[S-].
What is the InChIKey of ethane-1,2-dithiolate?
The InChIKey is VYMPLPIFKRHAAC-UHFFFAOYSA-L. The full InChI is InChI=1S/C2H6S2/c3-1-2-4/h3-4H,1-2H2/p-2.
What are the key properties of ethane-1,2-dithiolate?
ethane-1,2-dithiolate has a molecular weight of 92.19 g/mol, XLogP of 0.08, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane-1,2-dithiolate is sourced from PubChem (CID 22937149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).