dithiirane;ethane

C3H8S2 — CID 161173072

IUPACdithiirane;ethane
SMILESC1SS1.CC
InChIInChI=1S/C2H6.CH2S2/c1-2;1-2-3-1/h1-2H3;1H2
InChIKeyURLFDOLPQLTGIC-UHFFFAOYSA-N
MW108.23 g/mol
LogP2.37
Rot. Bonds

About dithiirane;ethane

dithiirane;ethane (PubChem CID 161173072) has the molecular formula C3H8S2 and a molecular weight of 108.23 g/mol. Its IUPAC name is dithiirane;ethane.

Molecular Properties

Compound Namedithiirane;ethane
PubChem CID161173072
Molecular FormulaC3H8S2
Molecular Weight108.23 g/mol
Exact Mass108.01
IUPAC Namedithiirane;ethane
SMILESC1SS1.CC
InChIInChI=1S/C2H6.CH2S2/c1-2;1-2-3-1/h1-2H3;1H2
InChIKeyURLFDOLPQLTGIC-UHFFFAOYSA-N
XLogP2.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500108.23
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'disulphide', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of dithiirane;ethane?
The IUPAC name of dithiirane;ethane (CID 161173072) is dithiirane;ethane.
What is the SMILES notation for dithiirane;ethane?
The canonical SMILES for dithiirane;ethane is C1SS1.CC.
What is the InChIKey of dithiirane;ethane?
The InChIKey is URLFDOLPQLTGIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H6.CH2S2/c1-2;1-2-3-1/h1-2H3;1H2.
What are the key properties of dithiirane;ethane?
dithiirane;ethane has a molecular weight of 108.23 g/mol, XLogP of 2.37, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dithiirane;ethane is sourced from PubChem (CID 161173072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).