thiophen-3-ylmethanesulfonyl fluoride

C5H5FO2S2 — CID 138989273

IUPACthiophen-3-ylmethanesulfonyl fluoride
SMILESO=S(=O)(F)Cc1ccsc1
InChIInChI=1S/C5H5FO2S2/c6-10(7,8)4-5-1-2-9-3-5/h1-3H,4H2
InChIKeyVBYAQPYDYRQPGI-UHFFFAOYSA-N
MW180.22 g/mol
LogP1.55
Rot. Bonds2

About thiophen-3-ylmethanesulfonyl fluoride

thiophen-3-ylmethanesulfonyl fluoride (PubChem CID 138989273) has the molecular formula C5H5FO2S2 and a molecular weight of 180.22 g/mol. Its IUPAC name is thiophen-3-ylmethanesulfonyl fluoride.

Molecular Properties

Compound Namethiophen-3-ylmethanesulfonyl fluoride
PubChem CID138989273
Molecular FormulaC5H5FO2S2
Molecular Weight180.22 g/mol
Exact Mass179.97
IUPAC Namethiophen-3-ylmethanesulfonyl fluoride
SMILESO=S(=O)(F)Cc1ccsc1
InChIInChI=1S/C5H5FO2S2/c6-10(7,8)4-5-1-2-9-3-5/h1-3H,4H2
InChIKeyVBYAQPYDYRQPGI-UHFFFAOYSA-N
XLogP1.55
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.22
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of thiophen-3-ylmethanesulfonyl fluoride?
The IUPAC name of thiophen-3-ylmethanesulfonyl fluoride (CID 138989273) is thiophen-3-ylmethanesulfonyl fluoride.
What is the SMILES notation for thiophen-3-ylmethanesulfonyl fluoride?
The canonical SMILES for thiophen-3-ylmethanesulfonyl fluoride is O=S(=O)(F)Cc1ccsc1.
What is the InChIKey of thiophen-3-ylmethanesulfonyl fluoride?
The InChIKey is VBYAQPYDYRQPGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5FO2S2/c6-10(7,8)4-5-1-2-9-3-5/h1-3H,4H2.
What are the key properties of thiophen-3-ylmethanesulfonyl fluoride?
thiophen-3-ylmethanesulfonyl fluoride has a molecular weight of 180.22 g/mol, XLogP of 1.55, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for thiophen-3-ylmethanesulfonyl fluoride is sourced from PubChem (CID 138989273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).