(2R)-2-propylthiolan-3-one

C7H12OS — CID 70123125

IUPAC(2R)-2-propylthiolan-3-one
SMILESCCC[C@H]1SCCC1=O
InChIInChI=1S/C7H12OS/c1-2-3-7-6(8)4-5-9-7/h7H,2-5H2,1H3/t7-/m1/s1
InChIKeyQJZCGQDBLBCNMS-SSDOTTSWSA-N
MW144.24 g/mol
LogP1.86
Rot. Bonds2

About (2R)-2-propylthiolan-3-one

(2R)-2-propylthiolan-3-one (PubChem CID 70123125) has the molecular formula C7H12OS and a molecular weight of 144.24 g/mol. Its IUPAC name is (2R)-2-propylthiolan-3-one.

Molecular Properties

Compound Name(2R)-2-propylthiolan-3-one
PubChem CID70123125
Molecular FormulaC7H12OS
Molecular Weight144.24 g/mol
Exact Mass144.06
IUPAC Name(2R)-2-propylthiolan-3-one
SMILESCCC[C@H]1SCCC1=O
InChIInChI=1S/C7H12OS/c1-2-3-7-6(8)4-5-9-7/h7H,2-5H2,1H3/t7-/m1/s1
InChIKeyQJZCGQDBLBCNMS-SSDOTTSWSA-N
XLogP1.86
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.24
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-propylthiolan-3-one?
The IUPAC name of (2R)-2-propylthiolan-3-one (CID 70123125) is (2R)-2-propylthiolan-3-one.
What is the SMILES notation for (2R)-2-propylthiolan-3-one?
The canonical SMILES for (2R)-2-propylthiolan-3-one is CCC[C@H]1SCCC1=O.
What is the InChIKey of (2R)-2-propylthiolan-3-one?
The InChIKey is QJZCGQDBLBCNMS-SSDOTTSWSA-N. The full InChI is InChI=1S/C7H12OS/c1-2-3-7-6(8)4-5-9-7/h7H,2-5H2,1H3/t7-/m1/s1.
What are the key properties of (2R)-2-propylthiolan-3-one?
(2R)-2-propylthiolan-3-one has a molecular weight of 144.24 g/mol, XLogP of 1.86, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-propylthiolan-3-one is sourced from PubChem (CID 70123125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).