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

C7H14S — CID 131847375

IUPAC(2S,3S)-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-/m0/s1
InChIKeyRCHPYYAHTIGZNO-BQBZGAKWSA-N
MW130.26 g/mol
LogP2.68
Rot. Bonds3

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

(2S,3S)-2-ethyl-3-propylthiirane (PubChem CID 131847375) has the molecular formula C7H14S and a molecular weight of 130.26 g/mol. Its IUPAC name is (2S,3S)-2-ethyl-3-propylthiirane.

Molecular Properties

Compound Name(2S,3S)-2-ethyl-3-propylthiirane
PubChem CID131847375
Molecular FormulaC7H14S
Molecular Weight130.26 g/mol
Exact Mass130.08
IUPAC Name(2S,3S)-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-/m0/s1
InChIKeyRCHPYYAHTIGZNO-BQBZGAKWSA-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 (2S,3S)-2-ethyl-3-propylthiirane?
The IUPAC name of (2S,3S)-2-ethyl-3-propylthiirane (CID 131847375) is (2S,3S)-2-ethyl-3-propylthiirane.
What is the SMILES notation for (2S,3S)-2-ethyl-3-propylthiirane?
The canonical SMILES for (2S,3S)-2-ethyl-3-propylthiirane is CCC[C@@H]1S[C@H]1CC.
What is the InChIKey of (2S,3S)-2-ethyl-3-propylthiirane?
The InChIKey is RCHPYYAHTIGZNO-BQBZGAKWSA-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-/m0/s1.
What are the key properties of (2S,3S)-2-ethyl-3-propylthiirane?
(2S,3S)-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 (2S,3S)-2-ethyl-3-propylthiirane is sourced from PubChem (CID 131847375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).