methylsulfanyloxysulfanylmethane;oxadiazole

C4H8N2O2S2 — CID 66905707

IUPACmethylsulfanyloxysulfanylmethane;oxadiazole
SMILESCSOSC.c1conn1
InChIInChI=1S/C2H2N2O.C2H6OS2/c1-2-5-4-3-1;1-4-3-5-2/h1-2H;1-2H3
InChIKeyOCGYGHGXDIVNSK-UHFFFAOYSA-N
MW180.25 g/mol
LogP1.63
Rot. Bonds2

About methylsulfanyloxysulfanylmethane;oxadiazole

methylsulfanyloxysulfanylmethane;oxadiazole (PubChem CID 66905707) has the molecular formula C4H8N2O2S2 and a molecular weight of 180.25 g/mol. Its IUPAC name is methylsulfanyloxysulfanylmethane;oxadiazole.

Molecular Properties

Compound Namemethylsulfanyloxysulfanylmethane;oxadiazole
PubChem CID66905707
Molecular FormulaC4H8N2O2S2
Molecular Weight180.25 g/mol
Exact Mass180.00
IUPAC Namemethylsulfanyloxysulfanylmethane;oxadiazole
SMILESCSOSC.c1conn1
InChIInChI=1S/C2H2N2O.C2H6OS2/c1-2-5-4-3-1;1-4-3-5-2/h1-2H;1-2H3
InChIKeyOCGYGHGXDIVNSK-UHFFFAOYSA-N
XLogP1.63
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methylsulfanyloxysulfanylmethane;oxadiazole?
The IUPAC name of methylsulfanyloxysulfanylmethane;oxadiazole (CID 66905707) is methylsulfanyloxysulfanylmethane;oxadiazole.
What is the SMILES notation for methylsulfanyloxysulfanylmethane;oxadiazole?
The canonical SMILES for methylsulfanyloxysulfanylmethane;oxadiazole is CSOSC.c1conn1.
What is the InChIKey of methylsulfanyloxysulfanylmethane;oxadiazole?
The InChIKey is OCGYGHGXDIVNSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H2N2O.C2H6OS2/c1-2-5-4-3-1;1-4-3-5-2/h1-2H;1-2H3.
What are the key properties of methylsulfanyloxysulfanylmethane;oxadiazole?
methylsulfanyloxysulfanylmethane;oxadiazole has a molecular weight of 180.25 g/mol, XLogP of 1.63, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methylsulfanyloxysulfanylmethane;oxadiazole is sourced from PubChem (CID 66905707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).