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

C6H12S — CID 134928594

IUPAC(2R,3R)-2-ethyl-2,3-dimethylthiirane
SMILESCC[C@@]1(C)S[C@@H]1C
InChIInChI=1S/C6H12S/c1-4-6(3)5(2)7-6/h5H,4H2,1-3H3/t5-,6-/m1/s1
InChIKeyLVZSDFKBNBZBMW-PHDIDXHHSA-N
MW116.23 g/mol
LogP2.29
Rot. Bonds1

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

(2R,3R)-2-ethyl-2,3-dimethylthiirane (PubChem CID 134928594) has the molecular formula C6H12S and a molecular weight of 116.23 g/mol. Its IUPAC name is (2R,3R)-2-ethyl-2,3-dimethylthiirane.

Molecular Properties

Compound Name(2R,3R)-2-ethyl-2,3-dimethylthiirane
PubChem CID134928594
Molecular FormulaC6H12S
Molecular Weight116.23 g/mol
Exact Mass116.07
IUPAC Name(2R,3R)-2-ethyl-2,3-dimethylthiirane
SMILESCC[C@@]1(C)S[C@@H]1C
InChIInChI=1S/C6H12S/c1-4-6(3)5(2)7-6/h5H,4H2,1-3H3/t5-,6-/m1/s1
InChIKeyLVZSDFKBNBZBMW-PHDIDXHHSA-N
XLogP2.29
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.23
LogP ≤ 52.29
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 (2R,3R)-2-ethyl-2,3-dimethylthiirane?
The IUPAC name of (2R,3R)-2-ethyl-2,3-dimethylthiirane (CID 134928594) is (2R,3R)-2-ethyl-2,3-dimethylthiirane.
What is the SMILES notation for (2R,3R)-2-ethyl-2,3-dimethylthiirane?
The canonical SMILES for (2R,3R)-2-ethyl-2,3-dimethylthiirane is CC[C@@]1(C)S[C@@H]1C.
What is the InChIKey of (2R,3R)-2-ethyl-2,3-dimethylthiirane?
The InChIKey is LVZSDFKBNBZBMW-PHDIDXHHSA-N. The full InChI is InChI=1S/C6H12S/c1-4-6(3)5(2)7-6/h5H,4H2,1-3H3/t5-,6-/m1/s1.
What are the key properties of (2R,3R)-2-ethyl-2,3-dimethylthiirane?
(2R,3R)-2-ethyl-2,3-dimethylthiirane has a molecular weight of 116.23 g/mol, XLogP of 2.29, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2-ethyl-2,3-dimethylthiirane is sourced from PubChem (CID 134928594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).