3-fluoro-5-methylthiane 1-oxide

C6H11FOS — CID 167199741

IUPAC3-fluoro-5-methylthiane 1-oxide
SMILESCC1CC(F)CS(=O)C1
InChIInChI=1S/C6H11FOS/c1-5-2-6(7)4-9(8)3-5/h5-6H,2-4H2,1H3
InChIKeyTZEWMODRMIPJMN-UHFFFAOYSA-N
MW150.22 g/mol
LogP1.11
Rot. Bonds

About 3-fluoro-5-methylthiane 1-oxide

3-fluoro-5-methylthiane 1-oxide (PubChem CID 167199741) has the molecular formula C6H11FOS and a molecular weight of 150.22 g/mol. Its IUPAC name is 3-fluoro-5-methylthiane 1-oxide.

Molecular Properties

Compound Name3-fluoro-5-methylthiane 1-oxide
PubChem CID167199741
Molecular FormulaC6H11FOS
Molecular Weight150.22 g/mol
Exact Mass150.05
IUPAC Name3-fluoro-5-methylthiane 1-oxide
SMILESCC1CC(F)CS(=O)C1
InChIInChI=1S/C6H11FOS/c1-5-2-6(7)4-9(8)3-5/h5-6H,2-4H2,1H3
InChIKeyTZEWMODRMIPJMN-UHFFFAOYSA-N
XLogP1.11
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 51.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-5-methylthiane 1-oxide?
The IUPAC name of 3-fluoro-5-methylthiane 1-oxide (CID 167199741) is 3-fluoro-5-methylthiane 1-oxide.
What is the SMILES notation for 3-fluoro-5-methylthiane 1-oxide?
The canonical SMILES for 3-fluoro-5-methylthiane 1-oxide is CC1CC(F)CS(=O)C1.
What is the InChIKey of 3-fluoro-5-methylthiane 1-oxide?
The InChIKey is TZEWMODRMIPJMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11FOS/c1-5-2-6(7)4-9(8)3-5/h5-6H,2-4H2,1H3.
What are the key properties of 3-fluoro-5-methylthiane 1-oxide?
3-fluoro-5-methylthiane 1-oxide has a molecular weight of 150.22 g/mol, XLogP of 1.11, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-5-methylthiane 1-oxide is sourced from PubChem (CID 167199741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).