2-methylthiolane 1-oxide

C5H10OS — CID 550020

IUPAC2-methylthiolane 1-oxide
SMILESCC1CCCS1=O
InChIInChI=1S/C5H10OS/c1-5-3-2-4-7(5)6/h5H,2-4H2,1H3
InChIKeyIVYRWXQWSZFPJZ-UHFFFAOYSA-N
MW118.20 g/mol
LogP0.92
Rot. Bonds

About 2-methylthiolane 1-oxide

2-methylthiolane 1-oxide (PubChem CID 550020) has the molecular formula C5H10OS and a molecular weight of 118.20 g/mol. Its IUPAC name is 2-methylthiolane 1-oxide.

Molecular Properties

Compound Name2-methylthiolane 1-oxide
PubChem CID550020
Molecular FormulaC5H10OS
Molecular Weight118.20 g/mol
Exact Mass118.05
IUPAC Name2-methylthiolane 1-oxide
SMILESCC1CCCS1=O
InChIInChI=1S/C5H10OS/c1-5-3-2-4-7(5)6/h5H,2-4H2,1H3
InChIKeyIVYRWXQWSZFPJZ-UHFFFAOYSA-N
XLogP0.92
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 ≤ 50.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Tetramethylene sulfoxide
CID 1128
1,1'-Sulfinylbis(propane)
CID 20252
Pentyl sulfoxide
CID 74806
2-Methyltetrahydrothiophene 1,1-dioxide
CID 549931
3-Methylthiolane 1-oxide
CID 13363184
Butane, 1-(ethylsulfinyl)-
CID 533730
2-Ethyltetrahydrothiophene 1,1-dioxide
CID 544727
Methyl-amyl-sulfoxid
CID 13954230
Cyclopentyl methyl sulfoxide
CID 23631127
(2R,5R)-2,5-dimethylthiolane 1,1-dioxide
CID 12385612
(1R,3S)-1-oxothiolane-3-thiol
CID 10920566
Thiosulfolane
CID 70626215

Frequently Asked Questions

What is the IUPAC name of 2-methylthiolane 1-oxide?
The IUPAC name of 2-methylthiolane 1-oxide (CID 550020) is 2-methylthiolane 1-oxide.
What is the SMILES notation for 2-methylthiolane 1-oxide?
The canonical SMILES for 2-methylthiolane 1-oxide is CC1CCCS1=O.
What is the InChIKey of 2-methylthiolane 1-oxide?
The InChIKey is IVYRWXQWSZFPJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10OS/c1-5-3-2-4-7(5)6/h5H,2-4H2,1H3.
What are the key properties of 2-methylthiolane 1-oxide?
2-methylthiolane 1-oxide has a molecular weight of 118.20 g/mol, XLogP of 0.92, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylthiolane 1-oxide is sourced from PubChem (CID 550020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).