3-fluoro-4-methylthiolane 1,1-dioxide

C5H9FO2S — CID 66729914

IUPAC3-fluoro-4-methylthiolane 1,1-dioxide
SMILESCC1CS(=O)(=O)CC1F
InChIInChI=1S/C5H9FO2S/c1-4-2-9(7,8)3-5(4)6/h4-5H,2-3H2,1H3
InChIKeyHABICGNLGUGATD-UHFFFAOYSA-N
MW152.19 g/mol
LogP0.39
Rot. Bonds

About 3-fluoro-4-methylthiolane 1,1-dioxide

3-fluoro-4-methylthiolane 1,1-dioxide (PubChem CID 66729914) has the molecular formula C5H9FO2S and a molecular weight of 152.19 g/mol. Its IUPAC name is 3-fluoro-4-methylthiolane 1,1-dioxide.

Molecular Properties

Compound Name3-fluoro-4-methylthiolane 1,1-dioxide
PubChem CID66729914
Molecular FormulaC5H9FO2S
Molecular Weight152.19 g/mol
Exact Mass152.03
IUPAC Name3-fluoro-4-methylthiolane 1,1-dioxide
SMILESCC1CS(=O)(=O)CC1F
InChIInChI=1S/C5H9FO2S/c1-4-2-9(7,8)3-5(4)6/h4-5H,2-3H2,1H3
InChIKeyHABICGNLGUGATD-UHFFFAOYSA-N
XLogP0.39
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.19
LogP ≤ 50.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,4-Dimethylsulfolane
CID 70483
3-Methylsulfolane
CID 79119
Dimethylsulfolan
CID 22262471
3-(Trifluoromethyl)tetrahydrothiophene 1,1-dioxide
CID 67291233
(3R)-3-methylthiolane 1,1-dioxide
CID 5324725
(3S)-3-(trifluoromethyl)thiolane 1,1-dioxide
CID 162403181
Thiophene, tetrahydro-3,4-dimethyl-, 1,1-dioxide
CID 12403081
2-Propan-2-ylthiolane 1,1-dioxide
CID 13525644
3-Methyl-1-(trifluoromethylsulfonyl)butane
CID 20755085
2,2-Difluoro-3-methyl-1-methylsulfonylbutane
CID 58185817
1-Fluoro-2-methyl-2-(2-methylpropylsulfonyl)propane
CID 58814885
2-Methyl-1-(2,2,2-trifluoroethylsulfonyl)propane
CID 58815018

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-methylthiolane 1,1-dioxide?
The IUPAC name of 3-fluoro-4-methylthiolane 1,1-dioxide (CID 66729914) is 3-fluoro-4-methylthiolane 1,1-dioxide.
What is the SMILES notation for 3-fluoro-4-methylthiolane 1,1-dioxide?
The canonical SMILES for 3-fluoro-4-methylthiolane 1,1-dioxide is CC1CS(=O)(=O)CC1F.
What is the InChIKey of 3-fluoro-4-methylthiolane 1,1-dioxide?
The InChIKey is HABICGNLGUGATD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9FO2S/c1-4-2-9(7,8)3-5(4)6/h4-5H,2-3H2,1H3.
What are the key properties of 3-fluoro-4-methylthiolane 1,1-dioxide?
3-fluoro-4-methylthiolane 1,1-dioxide has a molecular weight of 152.19 g/mol, XLogP of 0.39, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-methylthiolane 1,1-dioxide is sourced from PubChem (CID 66729914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).