3-methylsulfonyl-1,2-thiazole

C4H5NO2S2 — CID 141234539

IUPAC3-methylsulfonyl-1,2-thiazole
SMILESCS(=O)(=O)c1ccsn1
InChIInChI=1S/C4H5NO2S2/c1-9(6,7)4-2-3-8-5-4/h2-3H,1H3
InChIKeyKJNPVICBKLTDCQ-UHFFFAOYSA-N
MW163.22 g/mol
LogP0.55
Rot. Bonds1

About 3-methylsulfonyl-1,2-thiazole

3-methylsulfonyl-1,2-thiazole (PubChem CID 141234539) has the molecular formula C4H5NO2S2 and a molecular weight of 163.22 g/mol. Its IUPAC name is 3-methylsulfonyl-1,2-thiazole.

Molecular Properties

Compound Name3-methylsulfonyl-1,2-thiazole
PubChem CID141234539
Molecular FormulaC4H5NO2S2
Molecular Weight163.22 g/mol
Exact Mass162.98
IUPAC Name3-methylsulfonyl-1,2-thiazole
SMILESCS(=O)(=O)c1ccsn1
InChIInChI=1S/C4H5NO2S2/c1-9(6,7)4-2-3-8-5-4/h2-3H,1H3
InChIKeyKJNPVICBKLTDCQ-UHFFFAOYSA-N
XLogP0.55
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 50.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methylsulfonyl-1,2-thiazole?
The IUPAC name of 3-methylsulfonyl-1,2-thiazole (CID 141234539) is 3-methylsulfonyl-1,2-thiazole.
What is the SMILES notation for 3-methylsulfonyl-1,2-thiazole?
The canonical SMILES for 3-methylsulfonyl-1,2-thiazole is CS(=O)(=O)c1ccsn1.
What is the InChIKey of 3-methylsulfonyl-1,2-thiazole?
The InChIKey is KJNPVICBKLTDCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5NO2S2/c1-9(6,7)4-2-3-8-5-4/h2-3H,1H3.
What are the key properties of 3-methylsulfonyl-1,2-thiazole?
3-methylsulfonyl-1,2-thiazole has a molecular weight of 163.22 g/mol, XLogP of 0.55, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylsulfonyl-1,2-thiazole is sourced from PubChem (CID 141234539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).