(2R,3R)-2-ethyl-3,4,5-trimethylthiolane

C9H18S — CID 59070028

IUPAC(2R,3R)-2-ethyl-3,4,5-trimethylthiolane
SMILESCC[C@H]1SC(C)C(C)[C@H]1C
InChIInChI=1S/C9H18S/c1-5-9-7(3)6(2)8(4)10-9/h6-9H,5H2,1-4H3/t6?,7-,8?,9-/m1/s1
InChIKeyAHIZZZRJXXGXQV-SRKTWWLUSA-N
MW158.31 g/mol
LogP3.17
Rot. Bonds1

About (2R,3R)-2-ethyl-3,4,5-trimethylthiolane

(2R,3R)-2-ethyl-3,4,5-trimethylthiolane (PubChem CID 59070028) has the molecular formula C9H18S and a molecular weight of 158.31 g/mol. Its IUPAC name is (2R,3R)-2-ethyl-3,4,5-trimethylthiolane.

Molecular Properties

Compound Name(2R,3R)-2-ethyl-3,4,5-trimethylthiolane
PubChem CID59070028
Molecular FormulaC9H18S
Molecular Weight158.31 g/mol
Exact Mass158.11
IUPAC Name(2R,3R)-2-ethyl-3,4,5-trimethylthiolane
SMILESCC[C@H]1SC(C)C(C)[C@H]1C
InChIInChI=1S/C9H18S/c1-5-9-7(3)6(2)8(4)10-9/h6-9H,5H2,1-4H3/t6?,7-,8?,9-/m1/s1
InChIKeyAHIZZZRJXXGXQV-SRKTWWLUSA-N
XLogP3.17
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.31
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2-ethyl-3,4,5-trimethylthiolane?
The IUPAC name of (2R,3R)-2-ethyl-3,4,5-trimethylthiolane (CID 59070028) is (2R,3R)-2-ethyl-3,4,5-trimethylthiolane.
What is the SMILES notation for (2R,3R)-2-ethyl-3,4,5-trimethylthiolane?
The canonical SMILES for (2R,3R)-2-ethyl-3,4,5-trimethylthiolane is CC[C@H]1SC(C)C(C)[C@H]1C.
What is the InChIKey of (2R,3R)-2-ethyl-3,4,5-trimethylthiolane?
The InChIKey is AHIZZZRJXXGXQV-SRKTWWLUSA-N. The full InChI is InChI=1S/C9H18S/c1-5-9-7(3)6(2)8(4)10-9/h6-9H,5H2,1-4H3/t6?,7-,8?,9-/m1/s1.
What are the key properties of (2R,3R)-2-ethyl-3,4,5-trimethylthiolane?
(2R,3R)-2-ethyl-3,4,5-trimethylthiolane has a molecular weight of 158.31 g/mol, XLogP of 3.17, 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-3,4,5-trimethylthiolane is sourced from PubChem (CID 59070028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).