1-methylsulfanyl-2-(methylsulfanylmethoxy)ethane

C5H12OS2 — CID 167220707

IUPAC1-methylsulfanyl-2-(methylsulfanylmethoxy)ethane
SMILESCSCCOCSC
InChIInChI=1S/C5H12OS2/c1-7-4-3-6-5-8-2/h3-5H2,1-2H3
InChIKeyOMSSEEABNPQVJJ-UHFFFAOYSA-N
MW152.28 g/mol
LogP1.69
Rot. Bonds5

About 1-methylsulfanyl-2-(methylsulfanylmethoxy)ethane

1-methylsulfanyl-2-(methylsulfanylmethoxy)ethane (PubChem CID 167220707) has the molecular formula C5H12OS2 and a molecular weight of 152.28 g/mol. Its IUPAC name is 1-methylsulfanyl-2-(methylsulfanylmethoxy)ethane.

Molecular Properties

Compound Name1-methylsulfanyl-2-(methylsulfanylmethoxy)ethane
PubChem CID167220707
Molecular FormulaC5H12OS2
Molecular Weight152.28 g/mol
Exact Mass152.03
IUPAC Name1-methylsulfanyl-2-(methylsulfanylmethoxy)ethane
SMILESCSCCOCSC
InChIInChI=1S/C5H12OS2/c1-7-4-3-6-5-8-2/h3-5H2,1-2H3
InChIKeyOMSSEEABNPQVJJ-UHFFFAOYSA-N
XLogP1.69
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 ≤ 51.69
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 1-methylsulfanyl-2-(methylsulfanylmethoxy)ethane?
The IUPAC name of 1-methylsulfanyl-2-(methylsulfanylmethoxy)ethane (CID 167220707) is 1-methylsulfanyl-2-(methylsulfanylmethoxy)ethane.
What is the SMILES notation for 1-methylsulfanyl-2-(methylsulfanylmethoxy)ethane?
The canonical SMILES for 1-methylsulfanyl-2-(methylsulfanylmethoxy)ethane is CSCCOCSC.
What is the InChIKey of 1-methylsulfanyl-2-(methylsulfanylmethoxy)ethane?
The InChIKey is OMSSEEABNPQVJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12OS2/c1-7-4-3-6-5-8-2/h3-5H2,1-2H3.
What are the key properties of 1-methylsulfanyl-2-(methylsulfanylmethoxy)ethane?
1-methylsulfanyl-2-(methylsulfanylmethoxy)ethane has a molecular weight of 152.28 g/mol, XLogP of 1.69, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfanyl-2-(methylsulfanylmethoxy)ethane is sourced from PubChem (CID 167220707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).