4-methyl-1,3-thiazole-2-sulfonyl fluoride

C4H4FNO2S2 — CID 131042879

IUPAC4-methyl-1,3-thiazole-2-sulfonyl fluoride
SMILESCc1csc(S(=O)(=O)F)n1
InChIInChI=1S/C4H4FNO2S2/c1-3-2-9-4(6-3)10(5,7)8/h2H,1H3
InChIKeyRPEBSLCVNSRARR-UHFFFAOYSA-N
MW181.21 g/mol
LogP1.11
Rot. Bonds1

About 4-methyl-1,3-thiazole-2-sulfonyl fluoride

4-methyl-1,3-thiazole-2-sulfonyl fluoride (PubChem CID 131042879) has the molecular formula C4H4FNO2S2 and a molecular weight of 181.21 g/mol. Its IUPAC name is 4-methyl-1,3-thiazole-2-sulfonyl fluoride.

Molecular Properties

Compound Name4-methyl-1,3-thiazole-2-sulfonyl fluoride
PubChem CID131042879
Molecular FormulaC4H4FNO2S2
Molecular Weight181.21 g/mol
Exact Mass180.97
IUPAC Name4-methyl-1,3-thiazole-2-sulfonyl fluoride
SMILESCc1csc(S(=O)(=O)F)n1
InChIInChI=1S/C4H4FNO2S2/c1-3-2-9-4(6-3)10(5,7)8/h2H,1H3
InChIKeyRPEBSLCVNSRARR-UHFFFAOYSA-N
XLogP1.11
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.21
LogP ≤ 51.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1,3-thiazole-2-sulfonyl fluoride?
The IUPAC name of 4-methyl-1,3-thiazole-2-sulfonyl fluoride (CID 131042879) is 4-methyl-1,3-thiazole-2-sulfonyl fluoride.
What is the SMILES notation for 4-methyl-1,3-thiazole-2-sulfonyl fluoride?
The canonical SMILES for 4-methyl-1,3-thiazole-2-sulfonyl fluoride is Cc1csc(S(=O)(=O)F)n1.
What is the InChIKey of 4-methyl-1,3-thiazole-2-sulfonyl fluoride?
The InChIKey is RPEBSLCVNSRARR-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4FNO2S2/c1-3-2-9-4(6-3)10(5,7)8/h2H,1H3.
What are the key properties of 4-methyl-1,3-thiazole-2-sulfonyl fluoride?
4-methyl-1,3-thiazole-2-sulfonyl fluoride has a molecular weight of 181.21 g/mol, XLogP of 1.11, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1,3-thiazole-2-sulfonyl fluoride is sourced from PubChem (CID 131042879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).