2-methylthiolane

C5H10S — CID 15711

IUPAC2-methylthiolane
SMILESCC1CCCS1
InChIInChI=1S/C5H10S/c1-5-3-2-4-6-5/h5H,2-4H2,1H3
InChIKeyAJPGNQYBSTXCJE-UHFFFAOYSA-N
MW102.20 g/mol
LogP1.90
Rot. Bonds

About 2-methylthiolane

2-methylthiolane (PubChem CID 15711) has the molecular formula C5H10S and a molecular weight of 102.20 g/mol. Its IUPAC name is 2-methylthiolane.

Molecular Properties

Compound Name2-methylthiolane
PubChem CID15711
Molecular FormulaC5H10S
Molecular Weight102.20 g/mol
Exact Mass102.05
IUPAC Name2-methylthiolane
SMILESCC1CCCS1
InChIInChI=1S/C5H10S/c1-5-3-2-4-6-5/h5H,2-4H2,1H3
InChIKeyAJPGNQYBSTXCJE-UHFFFAOYSA-N
XLogP1.90
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500102.20
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-methylthiolane?
The IUPAC name of 2-methylthiolane (CID 15711) is 2-methylthiolane.
What is the SMILES notation for 2-methylthiolane?
The canonical SMILES for 2-methylthiolane is CC1CCCS1.
What is the InChIKey of 2-methylthiolane?
The InChIKey is AJPGNQYBSTXCJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10S/c1-5-3-2-4-6-5/h5H,2-4H2,1H3.
What are the key properties of 2-methylthiolane?
2-methylthiolane has a molecular weight of 102.20 g/mol, XLogP of 1.90, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylthiolane is sourced from PubChem (CID 15711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).