3-methylsulfonyl-2H-1,3-thiazole

C4H7NO2S2 — CID 137442387

IUPAC3-methylsulfonyl-2H-1,3-thiazole
SMILESCS(=O)(=O)N1C=CSC1
InChIInChI=1S/C4H7NO2S2/c1-9(6,7)5-2-3-8-4-5/h2-3H,4H2,1H3
InChIKeyUTJCXHCSKIZPCT-UHFFFAOYSA-N
MW165.24 g/mol
LogP0.42
Rot. Bonds1

About 3-methylsulfonyl-2H-1,3-thiazole

3-methylsulfonyl-2H-1,3-thiazole (PubChem CID 137442387) has the molecular formula C4H7NO2S2 and a molecular weight of 165.24 g/mol. Its IUPAC name is 3-methylsulfonyl-2H-1,3-thiazole.

Molecular Properties

Compound Name3-methylsulfonyl-2H-1,3-thiazole
PubChem CID137442387
Molecular FormulaC4H7NO2S2
Molecular Weight165.24 g/mol
Exact Mass164.99
IUPAC Name3-methylsulfonyl-2H-1,3-thiazole
SMILESCS(=O)(=O)N1C=CSC1
InChIInChI=1S/C4H7NO2S2/c1-9(6,7)5-2-3-8-4-5/h2-3H,4H2,1H3
InChIKeyUTJCXHCSKIZPCT-UHFFFAOYSA-N
XLogP0.42
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 50.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(trifluoromethylsulfonyl)-2H-1,3-thiazole
CID 137442368
3-(2,2,2-trifluoroethylsulfonyl)-2H-1,3-thiazole
CID 137442374
2-methyl-3-methylsulfonyl-2H-1,3-thiazole
CID 67482221
3-Methyl-2-methylidene-1,3-thiazole 1,1-dioxide
CID 67978394
3-methylsulfonyl-2H-1,3-thiazole-2-thiol
CID 87416744
3-(methylsulfonylmethyl)-2H-1,3-thiazole
CID 91296428
N-ethenyl-N-methylethenesulfonamide
CID 91510679
2-bromo-3-methylsulfonyl-2H-1,3-thiazole
CID 140287969
3-methyl-2H-1,3-thiazole-2-sulfonic acid
CID 150680310
3-methylsulfanyl-2H-1,3-thiazole 1-oxide
CID 154390904
3-[(1-oxo-2H-1,3-thiazol-3-yl)sulfonyl]-2H-1,3-thiazole 1-oxide
CID 155021993
2H-1,3-thiazol-3-ylmethanesulfonic acid
CID 21330497

Frequently Asked Questions

What is the IUPAC name of 3-methylsulfonyl-2H-1,3-thiazole?
The IUPAC name of 3-methylsulfonyl-2H-1,3-thiazole (CID 137442387) is 3-methylsulfonyl-2H-1,3-thiazole.
What is the SMILES notation for 3-methylsulfonyl-2H-1,3-thiazole?
The canonical SMILES for 3-methylsulfonyl-2H-1,3-thiazole is CS(=O)(=O)N1C=CSC1.
What is the InChIKey of 3-methylsulfonyl-2H-1,3-thiazole?
The InChIKey is UTJCXHCSKIZPCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7NO2S2/c1-9(6,7)5-2-3-8-4-5/h2-3H,4H2,1H3.
What are the key properties of 3-methylsulfonyl-2H-1,3-thiazole?
3-methylsulfonyl-2H-1,3-thiazole has a molecular weight of 165.24 g/mol, XLogP of 0.42, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylsulfonyl-2H-1,3-thiazole is sourced from PubChem (CID 137442387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).