1-methylsulfanyl-2-(sulfanyloxymethyl)cyclopropane

C5H10OS2 — CID 123504637

IUPAC1-methylsulfanyl-2-(sulfanyloxymethyl)cyclopropane
SMILESCSC1CC1COS
InChIInChI=1S/C5H10OS2/c1-8-5-2-4(5)3-6-7/h4-5,7H,2-3H2,1H3
InChIKeyAIFHLLKTMBHGBJ-UHFFFAOYSA-N
MW150.27 g/mol
LogP1.60
Rot. Bonds3

About 1-methylsulfanyl-2-(sulfanyloxymethyl)cyclopropane

1-methylsulfanyl-2-(sulfanyloxymethyl)cyclopropane (PubChem CID 123504637) has the molecular formula C5H10OS2 and a molecular weight of 150.27 g/mol. Its IUPAC name is 1-methylsulfanyl-2-(sulfanyloxymethyl)cyclopropane.

Molecular Properties

Compound Name1-methylsulfanyl-2-(sulfanyloxymethyl)cyclopropane
PubChem CID123504637
Molecular FormulaC5H10OS2
Molecular Weight150.27 g/mol
Exact Mass150.02
IUPAC Name1-methylsulfanyl-2-(sulfanyloxymethyl)cyclopropane
SMILESCSC1CC1COS
InChIInChI=1S/C5H10OS2/c1-8-5-2-4(5)3-6-7/h4-5,7H,2-3H2,1H3
InChIKeyAIFHLLKTMBHGBJ-UHFFFAOYSA-N
XLogP1.60
TPSA9.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.27
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfur_oxygen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

2-Methoxyethylsulfanylmethylcyclopropane
CID 89892525
2-Methylsulfanylethoxymethylcyclopropane
CID 103709697
1-(Methoxymethyl)-1-methylsulfanylcyclopropane
CID 123710643
Ethoxymethylsulfanylmethylcyclopropane
CID 131067555

Frequently Asked Questions

What is the IUPAC name of 1-methylsulfanyl-2-(sulfanyloxymethyl)cyclopropane?
The IUPAC name of 1-methylsulfanyl-2-(sulfanyloxymethyl)cyclopropane (CID 123504637) is 1-methylsulfanyl-2-(sulfanyloxymethyl)cyclopropane.
What is the SMILES notation for 1-methylsulfanyl-2-(sulfanyloxymethyl)cyclopropane?
The canonical SMILES for 1-methylsulfanyl-2-(sulfanyloxymethyl)cyclopropane is CSC1CC1COS.
What is the InChIKey of 1-methylsulfanyl-2-(sulfanyloxymethyl)cyclopropane?
The InChIKey is AIFHLLKTMBHGBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10OS2/c1-8-5-2-4(5)3-6-7/h4-5,7H,2-3H2,1H3.
What are the key properties of 1-methylsulfanyl-2-(sulfanyloxymethyl)cyclopropane?
1-methylsulfanyl-2-(sulfanyloxymethyl)cyclopropane has a molecular weight of 150.27 g/mol, XLogP of 1.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfanyl-2-(sulfanyloxymethyl)cyclopropane is sourced from PubChem (CID 123504637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).