(4S)-2,4-dimethylthietane 1-oxide

C5H10OS — CID 130381787

IUPAC(4S)-2,4-dimethylthietane 1-oxide
SMILESCC1C[C@H](C)S1=O
InChIInChI=1S/C5H10OS/c1-4-3-5(2)7(4)6/h4-5H,3H2,1-2H3/t4-,5?,7?/m0/s1
InChIKeyHYDGDXIUBNPQMG-JZMYEYFNSA-N
MW118.20 g/mol
LogP0.92
Rot. Bonds

About (4S)-2,4-dimethylthietane 1-oxide

(4S)-2,4-dimethylthietane 1-oxide (PubChem CID 130381787) has the molecular formula C5H10OS and a molecular weight of 118.20 g/mol. Its IUPAC name is (4S)-2,4-dimethylthietane 1-oxide.

Molecular Properties

Compound Name(4S)-2,4-dimethylthietane 1-oxide
PubChem CID130381787
Molecular FormulaC5H10OS
Molecular Weight118.20 g/mol
Exact Mass118.05
IUPAC Name(4S)-2,4-dimethylthietane 1-oxide
SMILESCC1C[C@H](C)S1=O
InChIInChI=1S/C5H10OS/c1-4-3-5(2)7(4)6/h4-5H,3H2,1-2H3/t4-,5?,7?/m0/s1
InChIKeyHYDGDXIUBNPQMG-JZMYEYFNSA-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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Frequently Asked Questions

What is the IUPAC name of (4S)-2,4-dimethylthietane 1-oxide?
The IUPAC name of (4S)-2,4-dimethylthietane 1-oxide (CID 130381787) is (4S)-2,4-dimethylthietane 1-oxide.
What is the SMILES notation for (4S)-2,4-dimethylthietane 1-oxide?
The canonical SMILES for (4S)-2,4-dimethylthietane 1-oxide is CC1C[C@H](C)S1=O.
What is the InChIKey of (4S)-2,4-dimethylthietane 1-oxide?
The InChIKey is HYDGDXIUBNPQMG-JZMYEYFNSA-N. The full InChI is InChI=1S/C5H10OS/c1-4-3-5(2)7(4)6/h4-5H,3H2,1-2H3/t4-,5?,7?/m0/s1.
What are the key properties of (4S)-2,4-dimethylthietane 1-oxide?
(4S)-2,4-dimethylthietane 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 (4S)-2,4-dimethylthietane 1-oxide is sourced from PubChem (CID 130381787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).