2-methylthiophene-3-sulfonyl fluoride

C5H5FO2S2 — CID 157377683

IUPAC2-methylthiophene-3-sulfonyl fluoride
SMILESCc1sccc1S(=O)(=O)F
InChIInChI=1S/C5H5FO2S2/c1-4-5(2-3-9-4)10(6,7)8/h2-3H,1H3
InChIKeyBKMUYWQWGDYMTC-UHFFFAOYSA-N
MW180.22 g/mol
LogP1.71
Rot. Bonds1

About 2-methylthiophene-3-sulfonyl fluoride

2-methylthiophene-3-sulfonyl fluoride (PubChem CID 157377683) has the molecular formula C5H5FO2S2 and a molecular weight of 180.22 g/mol. Its IUPAC name is 2-methylthiophene-3-sulfonyl fluoride.

Molecular Properties

Compound Name2-methylthiophene-3-sulfonyl fluoride
PubChem CID157377683
Molecular FormulaC5H5FO2S2
Molecular Weight180.22 g/mol
Exact Mass179.97
IUPAC Name2-methylthiophene-3-sulfonyl fluoride
SMILESCc1sccc1S(=O)(=O)F
InChIInChI=1S/C5H5FO2S2/c1-4-5(2-3-9-4)10(6,7)8/h2-3H,1H3
InChIKeyBKMUYWQWGDYMTC-UHFFFAOYSA-N
XLogP1.71
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.22
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methylthiophene-3-sulfonyl fluoride?
The IUPAC name of 2-methylthiophene-3-sulfonyl fluoride (CID 157377683) is 2-methylthiophene-3-sulfonyl fluoride.
What is the SMILES notation for 2-methylthiophene-3-sulfonyl fluoride?
The canonical SMILES for 2-methylthiophene-3-sulfonyl fluoride is Cc1sccc1S(=O)(=O)F.
What is the InChIKey of 2-methylthiophene-3-sulfonyl fluoride?
The InChIKey is BKMUYWQWGDYMTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5FO2S2/c1-4-5(2-3-9-4)10(6,7)8/h2-3H,1H3.
What are the key properties of 2-methylthiophene-3-sulfonyl fluoride?
2-methylthiophene-3-sulfonyl fluoride has a molecular weight of 180.22 g/mol, XLogP of 1.71, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylthiophene-3-sulfonyl fluoride is sourced from PubChem (CID 157377683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).