(E)-ethene-1,2-dithiolate

C2H2S2-2 — CID 23374661

IUPAC(E)-ethene-1,2-dithiolate
SMILES[S-]/C=C/[S-]
InChIInChI=1S/C2H4S2/c3-1-2-4/h1-4H/p-2/b2-1+
InChIKeyRLYTZHQLDITXLO-OWOJBTEDSA-L
MW90.17 g/mol
LogP0.55
Rot. Bonds

About (E)-ethene-1,2-dithiolate

(E)-ethene-1,2-dithiolate (PubChem CID 23374661) has the molecular formula C2H2S2-2 and a molecular weight of 90.17 g/mol. Its IUPAC name is (E)-ethene-1,2-dithiolate.

Molecular Properties

Compound Name(E)-ethene-1,2-dithiolate
PubChem CID23374661
Molecular FormulaC2H2S2-2
Molecular Weight90.17 g/mol
Exact Mass89.96
IUPAC Name(E)-ethene-1,2-dithiolate
SMILES[S-]/C=C/[S-]
InChIInChI=1S/C2H4S2/c3-1-2-4/h1-4H/p-2/b2-1+
InChIKeyRLYTZHQLDITXLO-OWOJBTEDSA-L
XLogP0.55
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms4
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50090.17
LogP ≤ 50.55
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 (E)-ethene-1,2-dithiolate?
The IUPAC name of (E)-ethene-1,2-dithiolate (CID 23374661) is (E)-ethene-1,2-dithiolate.
What is the SMILES notation for (E)-ethene-1,2-dithiolate?
The canonical SMILES for (E)-ethene-1,2-dithiolate is [S-]/C=C/[S-].
What is the InChIKey of (E)-ethene-1,2-dithiolate?
The InChIKey is RLYTZHQLDITXLO-OWOJBTEDSA-L. The full InChI is InChI=1S/C2H4S2/c3-1-2-4/h1-4H/p-2/b2-1+.
What are the key properties of (E)-ethene-1,2-dithiolate?
(E)-ethene-1,2-dithiolate has a molecular weight of 90.17 g/mol, XLogP of 0.55, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-ethene-1,2-dithiolate is sourced from PubChem (CID 23374661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).