3-methylthiolane 1-oxide

C5H10OS — CID 13363184

IUPAC3-methylthiolane 1-oxide
SMILESCC1CCS(=O)C1
InChIInChI=1S/C5H10OS/c1-5-2-3-7(6)4-5/h5H,2-4H2,1H3
InChIKeyGFDQTQWMQFSCRF-UHFFFAOYSA-N
MW118.20 g/mol
LogP0.77
Rot. Bonds

About 3-methylthiolane 1-oxide

3-methylthiolane 1-oxide (PubChem CID 13363184) has the molecular formula C5H10OS and a molecular weight of 118.20 g/mol. Its IUPAC name is 3-methylthiolane 1-oxide.

Molecular Properties

Compound Name3-methylthiolane 1-oxide
PubChem CID13363184
Molecular FormulaC5H10OS
Molecular Weight118.20 g/mol
Exact Mass118.05
IUPAC Name3-methylthiolane 1-oxide
SMILESCC1CCS(=O)C1
InChIInChI=1S/C5H10OS/c1-5-2-3-7(6)4-5/h5H,2-4H2,1H3
InChIKeyGFDQTQWMQFSCRF-UHFFFAOYSA-N
XLogP0.77
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.20
LogP ≤ 50.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 3-methylthiolane 1-oxide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Tetramethylene sulfoxide
CID 1128
Isopentyl sulfoxide
CID 24407
3-Methylsulfolane
CID 79119
3-Methylthiolane
CID 138337
Butane, 3-methyl-1-(methylsulfinyl)-
CID 143316
i-Butylmethylsulfoxide
CID 12176490
2-Methylthiolane 1-oxide
CID 550020
(3R)-3-methylthiolane 1,1-dioxide
CID 5324725
Thiophene, tetrahydro-3,4-dimethyl-, 1,1-dioxide
CID 12403081
3,3-dimethylthiolane S-oxide
CID 85851683
3,4-dimethylthiolane S-oxide
CID 89449818
(S)-3-Methyl-tetrahydro-thiophene 1,1-dioxide
CID 7403189

Frequently Asked Questions

What is the IUPAC name of 3-methylthiolane 1-oxide?
The IUPAC name of 3-methylthiolane 1-oxide (CID 13363184) is 3-methylthiolane 1-oxide.
What is the SMILES notation for 3-methylthiolane 1-oxide?
The canonical SMILES for 3-methylthiolane 1-oxide is CC1CCS(=O)C1.
What is the InChIKey of 3-methylthiolane 1-oxide?
The InChIKey is GFDQTQWMQFSCRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10OS/c1-5-2-3-7(6)4-5/h5H,2-4H2,1H3.
What are the key properties of 3-methylthiolane 1-oxide?
3-methylthiolane 1-oxide has a molecular weight of 118.20 g/mol, XLogP of 0.77, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylthiolane 1-oxide is sourced from PubChem (CID 13363184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).