5-ethylsulfonyl-2-iodo-1,3-thiazole

C5H6INO2S2 — CID 118088244

IUPAC5-ethylsulfonyl-2-iodo-1,3-thiazole
SMILESCCS(=O)(=O)c1cnc(I)s1
InChIInChI=1S/C5H6INO2S2/c1-2-11(8,9)4-3-7-5(6)10-4/h3H,2H2,1H3
InChIKeyVHMVVXOQRMFIKT-UHFFFAOYSA-N
MW303.15 g/mol
LogP1.54
Rot. Bonds2

About 5-ethylsulfonyl-2-iodo-1,3-thiazole

5-ethylsulfonyl-2-iodo-1,3-thiazole (PubChem CID 118088244) has the molecular formula C5H6INO2S2 and a molecular weight of 303.15 g/mol. Its IUPAC name is 5-ethylsulfonyl-2-iodo-1,3-thiazole.

Molecular Properties

Compound Name5-ethylsulfonyl-2-iodo-1,3-thiazole
PubChem CID118088244
Molecular FormulaC5H6INO2S2
Molecular Weight303.15 g/mol
Exact Mass302.89
IUPAC Name5-ethylsulfonyl-2-iodo-1,3-thiazole
SMILESCCS(=O)(=O)c1cnc(I)s1
InChIInChI=1S/C5H6INO2S2/c1-2-11(8,9)4-3-7-5(6)10-4/h3H,2H2,1H3
InChIKeyVHMVVXOQRMFIKT-UHFFFAOYSA-N
XLogP1.54
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.15
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-ethylsulfonyl-2-iodo-1,3-thiazole?
The IUPAC name of 5-ethylsulfonyl-2-iodo-1,3-thiazole (CID 118088244) is 5-ethylsulfonyl-2-iodo-1,3-thiazole.
What is the SMILES notation for 5-ethylsulfonyl-2-iodo-1,3-thiazole?
The canonical SMILES for 5-ethylsulfonyl-2-iodo-1,3-thiazole is CCS(=O)(=O)c1cnc(I)s1.
What is the InChIKey of 5-ethylsulfonyl-2-iodo-1,3-thiazole?
The InChIKey is VHMVVXOQRMFIKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6INO2S2/c1-2-11(8,9)4-3-7-5(6)10-4/h3H,2H2,1H3.
What are the key properties of 5-ethylsulfonyl-2-iodo-1,3-thiazole?
5-ethylsulfonyl-2-iodo-1,3-thiazole has a molecular weight of 303.15 g/mol, XLogP of 1.54, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethylsulfonyl-2-iodo-1,3-thiazole is sourced from PubChem (CID 118088244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).