(1R,3S)-3-methylthiolane 1-oxide

C5H10OS — CID 58422572

IUPAC(1R,3S)-3-methylthiolane 1-oxide
SMILESC[C@H]1CC[S@@](=O)C1
InChIInChI=1S/C5H10OS/c1-5-2-3-7(6)4-5/h5H,2-4H2,1H3/t5-,7+/m0/s1
InChIKeyGFDQTQWMQFSCRF-CAHLUQPWSA-N
MW118.20 g/mol
LogP0.77
Rot. Bonds

About (1R,3S)-3-methylthiolane 1-oxide

(1R,3S)-3-methylthiolane 1-oxide (PubChem CID 58422572) has the molecular formula C5H10OS and a molecular weight of 118.20 g/mol. Its IUPAC name is (1R,3S)-3-methylthiolane 1-oxide.

Molecular Properties

Compound Name(1R,3S)-3-methylthiolane 1-oxide
PubChem CID58422572
Molecular FormulaC5H10OS
Molecular Weight118.20 g/mol
Exact Mass118.05
IUPAC Name(1R,3S)-3-methylthiolane 1-oxide
SMILESC[C@H]1CC[S@@](=O)C1
InChIInChI=1S/C5H10OS/c1-5-2-3-7(6)4-5/h5H,2-4H2,1H3/t5-,7+/m0/s1
InChIKeyGFDQTQWMQFSCRF-CAHLUQPWSA-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

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Related Compounds

Tetramethylene sulfoxide
CID 1128
Isopentyl sulfoxide
CID 24407
3-Methylsulfolane
CID 79119
3-Methylthiolane
CID 138337
3-Methylthiolane 1-oxide
CID 13363184
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

Frequently Asked Questions

What is the IUPAC name of (1R,3S)-3-methylthiolane 1-oxide?
The IUPAC name of (1R,3S)-3-methylthiolane 1-oxide (CID 58422572) is (1R,3S)-3-methylthiolane 1-oxide.
What is the SMILES notation for (1R,3S)-3-methylthiolane 1-oxide?
The canonical SMILES for (1R,3S)-3-methylthiolane 1-oxide is C[C@H]1CC[S@@](=O)C1.
What is the InChIKey of (1R,3S)-3-methylthiolane 1-oxide?
The InChIKey is GFDQTQWMQFSCRF-CAHLUQPWSA-N. The full InChI is InChI=1S/C5H10OS/c1-5-2-3-7(6)4-5/h5H,2-4H2,1H3/t5-,7+/m0/s1.
What are the key properties of (1R,3S)-3-methylthiolane 1-oxide?
(1R,3S)-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 (1R,3S)-3-methylthiolane 1-oxide is sourced from PubChem (CID 58422572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).