(2R)-2-(butoxymethyl)thiirane

C7H14OS — CID 134880973

IUPAC(2R)-2-(butoxymethyl)thiirane
SMILESCCCCOC[C@@H]1CS1
InChIInChI=1S/C7H14OS/c1-2-3-4-8-5-7-6-9-7/h7H,2-6H2,1H3/t7-/m1/s1
InChIKeyYBKWHCPRXGFWPV-SSDOTTSWSA-N
MW146.25 g/mol
LogP1.92
Rot. Bonds5

About (2R)-2-(butoxymethyl)thiirane

(2R)-2-(butoxymethyl)thiirane (PubChem CID 134880973) has the molecular formula C7H14OS and a molecular weight of 146.25 g/mol. Its IUPAC name is (2R)-2-(butoxymethyl)thiirane.

Molecular Properties

Compound Name(2R)-2-(butoxymethyl)thiirane
PubChem CID134880973
Molecular FormulaC7H14OS
Molecular Weight146.25 g/mol
Exact Mass146.08
IUPAC Name(2R)-2-(butoxymethyl)thiirane
SMILESCCCCOC[C@@H]1CS1
InChIInChI=1S/C7H14OS/c1-2-3-4-8-5-7-6-9-7/h7H,2-6H2,1H3/t7-/m1/s1
InChIKeyYBKWHCPRXGFWPV-SSDOTTSWSA-N
XLogP1.92
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.25
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2R)-2-(butoxymethyl)thiirane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(butoxymethyl)thiirane?
The IUPAC name of (2R)-2-(butoxymethyl)thiirane (CID 134880973) is (2R)-2-(butoxymethyl)thiirane.
What is the SMILES notation for (2R)-2-(butoxymethyl)thiirane?
The canonical SMILES for (2R)-2-(butoxymethyl)thiirane is CCCCOC[C@@H]1CS1.
What is the InChIKey of (2R)-2-(butoxymethyl)thiirane?
The InChIKey is YBKWHCPRXGFWPV-SSDOTTSWSA-N. The full InChI is InChI=1S/C7H14OS/c1-2-3-4-8-5-7-6-9-7/h7H,2-6H2,1H3/t7-/m1/s1.
What are the key properties of (2R)-2-(butoxymethyl)thiirane?
(2R)-2-(butoxymethyl)thiirane has a molecular weight of 146.25 g/mol, XLogP of 1.92, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(butoxymethyl)thiirane is sourced from PubChem (CID 134880973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).