(2S)-2-propan-2-ylthiolane 1-oxide

C7H14OS — CID 643421

IUPAC(2S)-2-propan-2-ylthiolane 1-oxide
SMILESCC(C)[C@@H]1CCCS1=O
InChIInChI=1S/C7H14OS/c1-6(2)7-4-3-5-9(7)8/h6-7H,3-5H2,1-2H3/t7-,9?/m0/s1
InChIKeyBHQRJKQNSDCOGU-JAVCKPHESA-N
MW146.25 g/mol
LogP1.55
Rot. Bonds1

About (2S)-2-propan-2-ylthiolane 1-oxide

(2S)-2-propan-2-ylthiolane 1-oxide (PubChem CID 643421) has the molecular formula C7H14OS and a molecular weight of 146.25 g/mol. Its IUPAC name is (2S)-2-propan-2-ylthiolane 1-oxide.

Molecular Properties

Compound Name(2S)-2-propan-2-ylthiolane 1-oxide
PubChem CID643421
Molecular FormulaC7H14OS
Molecular Weight146.25 g/mol
Exact Mass146.08
IUPAC Name(2S)-2-propan-2-ylthiolane 1-oxide
SMILESCC(C)[C@@H]1CCCS1=O
InChIInChI=1S/C7H14OS/c1-6(2)7-4-3-5-9(7)8/h6-7H,3-5H2,1-2H3/t7-,9?/m0/s1
InChIKeyBHQRJKQNSDCOGU-JAVCKPHESA-N
XLogP1.55
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.25
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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3-propan-2-ylthietane 1-oxide
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Frequently Asked Questions

What is the IUPAC name of (2S)-2-propan-2-ylthiolane 1-oxide?
The IUPAC name of (2S)-2-propan-2-ylthiolane 1-oxide (CID 643421) is (2S)-2-propan-2-ylthiolane 1-oxide.
What is the SMILES notation for (2S)-2-propan-2-ylthiolane 1-oxide?
The canonical SMILES for (2S)-2-propan-2-ylthiolane 1-oxide is CC(C)[C@@H]1CCCS1=O.
What is the InChIKey of (2S)-2-propan-2-ylthiolane 1-oxide?
The InChIKey is BHQRJKQNSDCOGU-JAVCKPHESA-N. The full InChI is InChI=1S/C7H14OS/c1-6(2)7-4-3-5-9(7)8/h6-7H,3-5H2,1-2H3/t7-,9?/m0/s1.
What are the key properties of (2S)-2-propan-2-ylthiolane 1-oxide?
(2S)-2-propan-2-ylthiolane 1-oxide has a molecular weight of 146.25 g/mol, XLogP of 1.55, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-propan-2-ylthiolane 1-oxide is sourced from PubChem (CID 643421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).