(E)-ethene-1,2-dithiol

C2H4S2 — CID 6311349

IUPAC(E)-ethene-1,2-dithiol
SMILESS/C=C/S
InChIInChI=1S/C2H4S2/c3-1-2-4/h1-4H/b2-1+
InChIKeyRLYTZHQLDITXLO-OWOJBTEDSA-N
MW92.19 g/mol
LogP1.32
Rot. Bonds

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

(E)-ethene-1,2-dithiol (PubChem CID 6311349) has the molecular formula C2H4S2 and a molecular weight of 92.19 g/mol. Its IUPAC name is (E)-ethene-1,2-dithiol.

Molecular Properties

Compound Name(E)-ethene-1,2-dithiol
PubChem CID6311349
Molecular FormulaC2H4S2
Molecular Weight92.19 g/mol
Exact Mass91.98
IUPAC Name(E)-ethene-1,2-dithiol
SMILESS/C=C/S
InChIInChI=1S/C2H4S2/c3-1-2-4/h1-4H/b2-1+
InChIKeyRLYTZHQLDITXLO-OWOJBTEDSA-N
XLogP1.32
TPSA0.00 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms4
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50092.19
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-ethene-1,2-dithiol?
The IUPAC name of (E)-ethene-1,2-dithiol (CID 6311349) is (E)-ethene-1,2-dithiol.
What is the SMILES notation for (E)-ethene-1,2-dithiol?
The canonical SMILES for (E)-ethene-1,2-dithiol is S/C=C/S.
What is the InChIKey of (E)-ethene-1,2-dithiol?
The InChIKey is RLYTZHQLDITXLO-OWOJBTEDSA-N. The full InChI is InChI=1S/C2H4S2/c3-1-2-4/h1-4H/b2-1+.
What are the key properties of (E)-ethene-1,2-dithiol?
(E)-ethene-1,2-dithiol has a molecular weight of 92.19 g/mol, XLogP of 1.32, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-ethene-1,2-dithiol is sourced from PubChem (CID 6311349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).