(2S,3R)-3-methyl-2-propylthiolane

C8H16S — CID 91701516

IUPAC(2S,3R)-3-methyl-2-propylthiolane
SMILESCCC[C@@H]1SCC[C@H]1C
InChIInChI=1S/C8H16S/c1-3-4-8-7(2)5-6-9-8/h7-8H,3-6H2,1-2H3/t7-,8+/m1/s1
InChIKeyGKXTYRHEUMAUOG-SFYZADRCSA-N
MW144.28 g/mol
LogP2.93
Rot. Bonds2

About (2S,3R)-3-methyl-2-propylthiolane

(2S,3R)-3-methyl-2-propylthiolane (PubChem CID 91701516) has the molecular formula C8H16S and a molecular weight of 144.28 g/mol. Its IUPAC name is (2S,3R)-3-methyl-2-propylthiolane.

Molecular Properties

Compound Name(2S,3R)-3-methyl-2-propylthiolane
PubChem CID91701516
Molecular FormulaC8H16S
Molecular Weight144.28 g/mol
Exact Mass144.10
IUPAC Name(2S,3R)-3-methyl-2-propylthiolane
SMILESCCC[C@@H]1SCC[C@H]1C
InChIInChI=1S/C8H16S/c1-3-4-8-7(2)5-6-9-8/h7-8H,3-6H2,1-2H3/t7-,8+/m1/s1
InChIKeyGKXTYRHEUMAUOG-SFYZADRCSA-N
XLogP2.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.28
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2S,3R)-3-methyl-2-propylthiolane?
The IUPAC name of (2S,3R)-3-methyl-2-propylthiolane (CID 91701516) is (2S,3R)-3-methyl-2-propylthiolane.
What is the SMILES notation for (2S,3R)-3-methyl-2-propylthiolane?
The canonical SMILES for (2S,3R)-3-methyl-2-propylthiolane is CCC[C@@H]1SCC[C@H]1C.
What is the InChIKey of (2S,3R)-3-methyl-2-propylthiolane?
The InChIKey is GKXTYRHEUMAUOG-SFYZADRCSA-N. The full InChI is InChI=1S/C8H16S/c1-3-4-8-7(2)5-6-9-8/h7-8H,3-6H2,1-2H3/t7-,8+/m1/s1.
What are the key properties of (2S,3R)-3-methyl-2-propylthiolane?
(2S,3R)-3-methyl-2-propylthiolane has a molecular weight of 144.28 g/mol, XLogP of 2.93, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-3-methyl-2-propylthiolane is sourced from PubChem (CID 91701516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).