4,5-dimethylthiolan-3-one

C6H10OS — CID 15526294

IUPAC4,5-dimethylthiolan-3-one
SMILESCC1SCC(=O)C1C
InChIInChI=1S/C6H10OS/c1-4-5(2)8-3-6(4)7/h4-5H,3H2,1-2H3
InChIKeyWPJHULHDQNMKSR-UHFFFAOYSA-N
MW130.21 g/mol
LogP1.33
Rot. Bonds

About 4,5-dimethylthiolan-3-one

4,5-dimethylthiolan-3-one (PubChem CID 15526294) has the molecular formula C6H10OS and a molecular weight of 130.21 g/mol. Its IUPAC name is 4,5-dimethylthiolan-3-one.

Molecular Properties

Compound Name4,5-dimethylthiolan-3-one
PubChem CID15526294
Molecular FormulaC6H10OS
Molecular Weight130.21 g/mol
Exact Mass130.05
IUPAC Name4,5-dimethylthiolan-3-one
SMILESCC1SCC(=O)C1C
InChIInChI=1S/C6H10OS/c1-4-5(2)8-3-6(4)7/h4-5H,3H2,1-2H3
InChIKeyWPJHULHDQNMKSR-UHFFFAOYSA-N
XLogP1.33
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.21
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,5-dimethylthiolan-3-one?
The IUPAC name of 4,5-dimethylthiolan-3-one (CID 15526294) is 4,5-dimethylthiolan-3-one.
What is the SMILES notation for 4,5-dimethylthiolan-3-one?
The canonical SMILES for 4,5-dimethylthiolan-3-one is CC1SCC(=O)C1C.
What is the InChIKey of 4,5-dimethylthiolan-3-one?
The InChIKey is WPJHULHDQNMKSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10OS/c1-4-5(2)8-3-6(4)7/h4-5H,3H2,1-2H3.
What are the key properties of 4,5-dimethylthiolan-3-one?
4,5-dimethylthiolan-3-one has a molecular weight of 130.21 g/mol, XLogP of 1.33, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethylthiolan-3-one is sourced from PubChem (CID 15526294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).