2-(oxiran-2-yl)ethyl methanesulfonate

C5H10O4S — CID 12689934

IUPAC2-(oxiran-2-yl)ethyl methanesulfonate
SMILESCS(=O)(=O)OCCC1CO1
InChIInChI=1S/C5H10O4S/c1-10(6,7)9-3-2-5-4-8-5/h5H,2-4H2,1H3
InChIKeyBJQOPANNIMUHEV-UHFFFAOYSA-N
MW166.20 g/mol
LogP-0.25
Rot. Bonds4

About 2-(oxiran-2-yl)ethyl methanesulfonate

2-(oxiran-2-yl)ethyl methanesulfonate (PubChem CID 12689934) has the molecular formula C5H10O4S and a molecular weight of 166.20 g/mol. Its IUPAC name is 2-(oxiran-2-yl)ethyl methanesulfonate.

Molecular Properties

Compound Name2-(oxiran-2-yl)ethyl methanesulfonate
PubChem CID12689934
Molecular FormulaC5H10O4S
Molecular Weight166.20 g/mol
Exact Mass166.03
IUPAC Name2-(oxiran-2-yl)ethyl methanesulfonate
SMILESCS(=O)(=O)OCCC1CO1
InChIInChI=1S/C5H10O4S/c1-10(6,7)9-3-2-5-4-8-5/h5H,2-4H2,1H3
InChIKeyBJQOPANNIMUHEV-UHFFFAOYSA-N
XLogP-0.25
TPSA55.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.20
LogP ≤ 5-0.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(oxiran-2-yl)ethyl methanesulfonate?
The IUPAC name of 2-(oxiran-2-yl)ethyl methanesulfonate (CID 12689934) is 2-(oxiran-2-yl)ethyl methanesulfonate.
What is the SMILES notation for 2-(oxiran-2-yl)ethyl methanesulfonate?
The canonical SMILES for 2-(oxiran-2-yl)ethyl methanesulfonate is CS(=O)(=O)OCCC1CO1.
What is the InChIKey of 2-(oxiran-2-yl)ethyl methanesulfonate?
The InChIKey is BJQOPANNIMUHEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O4S/c1-10(6,7)9-3-2-5-4-8-5/h5H,2-4H2,1H3.
What are the key properties of 2-(oxiran-2-yl)ethyl methanesulfonate?
2-(oxiran-2-yl)ethyl methanesulfonate has a molecular weight of 166.20 g/mol, XLogP of -0.25, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxiran-2-yl)ethyl methanesulfonate is sourced from PubChem (CID 12689934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).