methylsulfanylmethylsulfanylmethoxyethane

C5H12OS2 — CID 131876852

IUPACmethylsulfanylmethylsulfanylmethoxyethane
SMILESCCOCSCSC
InChIInChI=1S/C5H12OS2/c1-3-6-4-8-5-7-2/h3-5H2,1-2H3
InChIKeyIDPULOIBMDQLTD-UHFFFAOYSA-N
MW152.28 g/mol
LogP2.03
Rot. Bonds5

About methylsulfanylmethylsulfanylmethoxyethane

methylsulfanylmethylsulfanylmethoxyethane (PubChem CID 131876852) has the molecular formula C5H12OS2 and a molecular weight of 152.28 g/mol. Its IUPAC name is methylsulfanylmethylsulfanylmethoxyethane.

Molecular Properties

Compound Namemethylsulfanylmethylsulfanylmethoxyethane
PubChem CID131876852
Molecular FormulaC5H12OS2
Molecular Weight152.28 g/mol
Exact Mass152.03
IUPAC Namemethylsulfanylmethylsulfanylmethoxyethane
SMILESCCOCSCSC
InChIInChI=1S/C5H12OS2/c1-3-6-4-8-5-7-2/h3-5H2,1-2H3
InChIKeyIDPULOIBMDQLTD-UHFFFAOYSA-N
XLogP2.03
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.28
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methylsulfanylmethylsulfanylmethoxyethane?
The IUPAC name of methylsulfanylmethylsulfanylmethoxyethane (CID 131876852) is methylsulfanylmethylsulfanylmethoxyethane.
What is the SMILES notation for methylsulfanylmethylsulfanylmethoxyethane?
The canonical SMILES for methylsulfanylmethylsulfanylmethoxyethane is CCOCSCSC.
What is the InChIKey of methylsulfanylmethylsulfanylmethoxyethane?
The InChIKey is IDPULOIBMDQLTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12OS2/c1-3-6-4-8-5-7-2/h3-5H2,1-2H3.
What are the key properties of methylsulfanylmethylsulfanylmethoxyethane?
methylsulfanylmethylsulfanylmethoxyethane has a molecular weight of 152.28 g/mol, XLogP of 2.03, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methylsulfanylmethylsulfanylmethoxyethane is sourced from PubChem (CID 131876852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).