(2S)-2-propan-2-ylthiolane

C7H14S — CID 643410

IUPAC(2S)-2-propan-2-ylthiolane
SMILESCC(C)[C@@H]1CCCS1
InChIInChI=1S/C7H14S/c1-6(2)7-4-3-5-8-7/h6-7H,3-5H2,1-2H3/t7-/m0/s1
InChIKeyGONQWPIOWIVQPT-ZETCQYMHSA-N
MW130.26 g/mol
LogP2.54
Rot. Bonds1

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

(2S)-2-propan-2-ylthiolane (PubChem CID 643410) has the molecular formula C7H14S and a molecular weight of 130.26 g/mol. Its IUPAC name is (2S)-2-propan-2-ylthiolane.

Molecular Properties

Compound Name(2S)-2-propan-2-ylthiolane
PubChem CID643410
Molecular FormulaC7H14S
Molecular Weight130.26 g/mol
Exact Mass130.08
IUPAC Name(2S)-2-propan-2-ylthiolane
SMILESCC(C)[C@@H]1CCCS1
InChIInChI=1S/C7H14S/c1-6(2)7-4-3-5-8-7/h6-7H,3-5H2,1-2H3/t7-/m0/s1
InChIKeyGONQWPIOWIVQPT-ZETCQYMHSA-N
XLogP2.54
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.26
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-propan-2-ylthiolane?
The IUPAC name of (2S)-2-propan-2-ylthiolane (CID 643410) is (2S)-2-propan-2-ylthiolane.
What is the SMILES notation for (2S)-2-propan-2-ylthiolane?
The canonical SMILES for (2S)-2-propan-2-ylthiolane is CC(C)[C@@H]1CCCS1.
What is the InChIKey of (2S)-2-propan-2-ylthiolane?
The InChIKey is GONQWPIOWIVQPT-ZETCQYMHSA-N. The full InChI is InChI=1S/C7H14S/c1-6(2)7-4-3-5-8-7/h6-7H,3-5H2,1-2H3/t7-/m0/s1.
What are the key properties of (2S)-2-propan-2-ylthiolane?
(2S)-2-propan-2-ylthiolane has a molecular weight of 130.26 g/mol, XLogP of 2.54, 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 is sourced from PubChem (CID 643410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).