2-ethyl-3-propylthiirane

C7H14S — CID 15327183

IUPAC2-ethyl-3-propylthiirane
SMILESCCCC1SC1CC
InChIInChI=1S/C7H14S/c1-3-5-7-6(4-2)8-7/h6-7H,3-5H2,1-2H3
InChIKeyRCHPYYAHTIGZNO-UHFFFAOYSA-N
MW130.26 g/mol
LogP2.68
Rot. Bonds3

About 2-ethyl-3-propylthiirane

2-ethyl-3-propylthiirane (PubChem CID 15327183) has the molecular formula C7H14S and a molecular weight of 130.26 g/mol. Its IUPAC name is 2-ethyl-3-propylthiirane.

Molecular Properties

Compound Name2-ethyl-3-propylthiirane
PubChem CID15327183
Molecular FormulaC7H14S
Molecular Weight130.26 g/mol
Exact Mass130.08
IUPAC Name2-ethyl-3-propylthiirane
SMILESCCCC1SC1CC
InChIInChI=1S/C7H14S/c1-3-5-7-6(4-2)8-7/h6-7H,3-5H2,1-2H3
InChIKeyRCHPYYAHTIGZNO-UHFFFAOYSA-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'}

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3-propylthiirane?
The IUPAC name of 2-ethyl-3-propylthiirane (CID 15327183) is 2-ethyl-3-propylthiirane.
What is the SMILES notation for 2-ethyl-3-propylthiirane?
The canonical SMILES for 2-ethyl-3-propylthiirane is CCCC1SC1CC.
What is the InChIKey of 2-ethyl-3-propylthiirane?
The InChIKey is RCHPYYAHTIGZNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14S/c1-3-5-7-6(4-2)8-7/h6-7H,3-5H2,1-2H3.
What are the key properties of 2-ethyl-3-propylthiirane?
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 2-ethyl-3-propylthiirane is sourced from PubChem (CID 15327183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).