(2R)-2,5-dimethylthiolane 1-oxide

C6H12OS — CID 130381687

IUPAC(2R)-2,5-dimethylthiolane 1-oxide
SMILESCC1CC[C@@H](C)S1=O
InChIInChI=1S/C6H12OS/c1-5-3-4-6(2)8(5)7/h5-6H,3-4H2,1-2H3/t5-,6?,8?/m1/s1
InChIKeyVHQWJCUFWZLZLL-SDUJUNFKSA-N
MW132.23 g/mol
LogP1.31
Rot. Bonds

About (2R)-2,5-dimethylthiolane 1-oxide

(2R)-2,5-dimethylthiolane 1-oxide (PubChem CID 130381687) has the molecular formula C6H12OS and a molecular weight of 132.23 g/mol. Its IUPAC name is (2R)-2,5-dimethylthiolane 1-oxide.

Molecular Properties

Compound Name(2R)-2,5-dimethylthiolane 1-oxide
PubChem CID130381687
Molecular FormulaC6H12OS
Molecular Weight132.23 g/mol
Exact Mass132.06
IUPAC Name(2R)-2,5-dimethylthiolane 1-oxide
SMILESCC1CC[C@@H](C)S1=O
InChIInChI=1S/C6H12OS/c1-5-3-4-6(2)8(5)7/h5-6H,3-4H2,1-2H3/t5-,6?,8?/m1/s1
InChIKeyVHQWJCUFWZLZLL-SDUJUNFKSA-N
XLogP1.31
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.23
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2R)-2,5-dimethylthiolane 1-oxide?
The IUPAC name of (2R)-2,5-dimethylthiolane 1-oxide (CID 130381687) is (2R)-2,5-dimethylthiolane 1-oxide.
What is the SMILES notation for (2R)-2,5-dimethylthiolane 1-oxide?
The canonical SMILES for (2R)-2,5-dimethylthiolane 1-oxide is CC1CC[C@@H](C)S1=O.
What is the InChIKey of (2R)-2,5-dimethylthiolane 1-oxide?
The InChIKey is VHQWJCUFWZLZLL-SDUJUNFKSA-N. The full InChI is InChI=1S/C6H12OS/c1-5-3-4-6(2)8(5)7/h5-6H,3-4H2,1-2H3/t5-,6?,8?/m1/s1.
What are the key properties of (2R)-2,5-dimethylthiolane 1-oxide?
(2R)-2,5-dimethylthiolane 1-oxide has a molecular weight of 132.23 g/mol, XLogP of 1.31, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2,5-dimethylthiolane 1-oxide is sourced from PubChem (CID 130381687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).