(2R,3R)-2-ethyl-3-propylthiirane

C7H14S — CID 134927890

IUPAC(2R,3R)-2-ethyl-3-propylthiirane
SMILESCCC[C@H]1S[C@@H]1CC
InChIInChI=1S/C7H14S/c1-3-5-7-6(4-2)8-7/h6-7H,3-5H2,1-2H3/t6-,7-/m1/s1
InChIKeyRCHPYYAHTIGZNO-RNFRBKRXSA-N
MW130.26 g/mol
LogP2.68
Rot. Bonds3

About (2R,3R)-2-ethyl-3-propylthiirane

(2R,3R)-2-ethyl-3-propylthiirane (PubChem CID 134927890) has the molecular formula C7H14S and a molecular weight of 130.26 g/mol. Its IUPAC name is (2R,3R)-2-ethyl-3-propylthiirane.

Molecular Properties

Compound Name(2R,3R)-2-ethyl-3-propylthiirane
PubChem CID134927890
Molecular FormulaC7H14S
Molecular Weight130.26 g/mol
Exact Mass130.08
IUPAC Name(2R,3R)-2-ethyl-3-propylthiirane
SMILESCCC[C@H]1S[C@@H]1CC
InChIInChI=1S/C7H14S/c1-3-5-7-6(4-2)8-7/h6-7H,3-5H2,1-2H3/t6-,7-/m1/s1
InChIKeyRCHPYYAHTIGZNO-RNFRBKRXSA-N
XLogP2.68
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.26
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (2R,3R)-2-ethyl-3-propylthiirane 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,3R)-2-ethyl-3-propylthiirane?
The IUPAC name of (2R,3R)-2-ethyl-3-propylthiirane (CID 134927890) is (2R,3R)-2-ethyl-3-propylthiirane.
What is the SMILES notation for (2R,3R)-2-ethyl-3-propylthiirane?
The canonical SMILES for (2R,3R)-2-ethyl-3-propylthiirane is CCC[C@H]1S[C@@H]1CC.
What is the InChIKey of (2R,3R)-2-ethyl-3-propylthiirane?
The InChIKey is RCHPYYAHTIGZNO-RNFRBKRXSA-N. The full InChI is InChI=1S/C7H14S/c1-3-5-7-6(4-2)8-7/h6-7H,3-5H2,1-2H3/t6-,7-/m1/s1.
What are the key properties of (2R,3R)-2-ethyl-3-propylthiirane?
(2R,3R)-2-ethyl-3-propylthiirane has a molecular weight of 130.26 g/mol, XLogP of 2.68, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2-ethyl-3-propylthiirane is sourced from PubChem (CID 134927890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).