3-[(1-oxo-2H-1,3-thiazol-3-yl)sulfonyl]-2H-1,3-thiazole 1-oxide

Name: 3-[(1-oxo-2H-1,3-thiazol-3-yl)sulfonyl]-2H-1,3-thiazole 1-oxide — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₆H₈N₂O₄S₃ — CID 155021993

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC3-[(1-oxo-2H-1,3-thiazol-3-yl)sulfonyl]-2H-1,3-thiazole 1-oxide

SMILESO=S1C=CN(S(=O)(=O)N2C=CS(=O)C2)C1

InChIInChI=1S/C6H8N2O4S3/c9-13-3-1-7(5-13)15(11,12)8-2-4-14(10)6-8/h1-4H,5-6H2

InChIKeyFJEGZDCFHMAWLE-UHFFFAOYSA-N

MW268.34 g/mol

LogP-0.78

Rot. Bonds2

About 3-[(1-oxo-2H-1,3-thiazol-3-yl)sulfonyl]-2H-1,3-thiazole 1-oxide

3-[(1-oxo-2H-1,3-thiazol-3-yl)sulfonyl]-2H-1,3-thiazole 1-oxide (PubChem CID 155021993) has the molecular formula C₆H₈N₂O₄S₃ and a molecular weight of 268.34 g/mol. Its IUPAC name is 3-[(1-oxo-2H-1,3-thiazol-3-yl)sulfonyl]-2H-1,3-thiazole 1-oxide.

Molecular Properties

Compound Name	3-[(1-oxo-2H-1,3-thiazol-3-yl)sulfonyl]-2H-1,3-thiazole 1-oxide
PubChem CID	155021993
Molecular Formula	C₆H₈N₂O₄S₃
Molecular Weight	268.34 g/mol
Exact Mass	267.96
IUPAC Name	3-[(1-oxo-2H-1,3-thiazol-3-yl)sulfonyl]-2H-1,3-thiazole 1-oxide
SMILES	O=S1C=CN(S(=O)(=O)N2C=CS(=O)C2)C1
InChI	InChI=1S/C6H8N2O4S3/c9-13-3-1-7(5-13)15(11,12)8-2-4-14(10)6-8/h1-4H,5-6H2
InChIKey	FJEGZDCFHMAWLE-UHFFFAOYSA-N
XLogP	-0.78
TPSA	74.76 Å²
H-Bond Donors
H-Bond Acceptors	4
Rotatable Bonds	2
Heavy Atoms	15
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	268.34
LogP ≤ 5	-0.78
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 3-[(1-oxo-2H-1,3-thiazol-3-yl)sulfonyl]-2H-1,3-thiazole 1-oxide?

The IUPAC name of 3-[(1-oxo-2H-1,3-thiazol-3-yl)sulfonyl]-2H-1,3-thiazole 1-oxide (CID 155021993) is 3-[(1-oxo-2H-1,3-thiazol-3-yl)sulfonyl]-2H-1,3-thiazole 1-oxide.

What is the SMILES notation for 3-[(1-oxo-2H-1,3-thiazol-3-yl)sulfonyl]-2H-1,3-thiazole 1-oxide?

The canonical SMILES for 3-[(1-oxo-2H-1,3-thiazol-3-yl)sulfonyl]-2H-1,3-thiazole 1-oxide is O=S1C=CN(S(=O)(=O)N2C=CS(=O)C2)C1.

What is the InChIKey of 3-[(1-oxo-2H-1,3-thiazol-3-yl)sulfonyl]-2H-1,3-thiazole 1-oxide?

The InChIKey is FJEGZDCFHMAWLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O4S3/c9-13-3-1-7(5-13)15(11,12)8-2-4-14(10)6-8/h1-4H,5-6H2.

What are the key properties of 3-[(1-oxo-2H-1,3-thiazol-3-yl)sulfonyl]-2H-1,3-thiazole 1-oxide?

3-[(1-oxo-2H-1,3-thiazol-3-yl)sulfonyl]-2H-1,3-thiazole 1-oxide has a molecular weight of 268.34 g/mol, XLogP of -0.78, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[(1-oxo-2H-1,3-thiazol-3-yl)sulfonyl]-2H-1,3-thiazole 1-oxide is sourced from PubChem (CID 155021993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 155021993 — identifiers, structure, computed properties (public domain)

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