dithiirane;methane

C2H6S2 — CID 159905497

IUPACdithiirane;methane
SMILESC.C1SS1
InChIInChI=1S/CH2S2.CH4/c1-2-3-1;/h1H2;1H4
InChIKeyNWNDCXSREDAIPG-UHFFFAOYSA-N
MW94.20 g/mol
LogP1.98
Rot. Bonds

About dithiirane;methane

dithiirane;methane (PubChem CID 159905497) has the molecular formula C2H6S2 and a molecular weight of 94.20 g/mol. Its IUPAC name is dithiirane;methane.

Molecular Properties

Compound Namedithiirane;methane
PubChem CID159905497
Molecular FormulaC2H6S2
Molecular Weight94.20 g/mol
Exact Mass93.99
IUPAC Namedithiirane;methane
SMILESC.C1SS1
InChIInChI=1S/CH2S2.CH4/c1-2-3-1;/h1H2;1H4
InChIKeyNWNDCXSREDAIPG-UHFFFAOYSA-N
XLogP1.98
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms4
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50094.20
LogP ≤ 51.98
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;methane?
The IUPAC name of dithiirane;methane (CID 159905497) is dithiirane;methane.
What is the SMILES notation for dithiirane;methane?
The canonical SMILES for dithiirane;methane is C.C1SS1.
What is the InChIKey of dithiirane;methane?
The InChIKey is NWNDCXSREDAIPG-UHFFFAOYSA-N. The full InChI is InChI=1S/CH2S2.CH4/c1-2-3-1;/h1H2;1H4.
What are the key properties of dithiirane;methane?
dithiirane;methane has a molecular weight of 94.20 g/mol, XLogP of 1.98, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dithiirane;methane is sourced from PubChem (CID 159905497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).