4-thiophen-2-yl-5H-oxathiazole 2,2-dioxide

C6H5NO3S2 — CID 142711088

IUPAC4-thiophen-2-yl-5H-oxathiazole 2,2-dioxide
SMILESO=S1(=O)N=C(c2cccs2)CO1
InChIInChI=1S/C6H5NO3S2/c8-12(9)7-5(4-10-12)6-2-1-3-11-6/h1-3H,4H2
InChIKeyKUZWNYQERORDEK-UHFFFAOYSA-N
MW203.24 g/mol
LogP0.81
Rot. Bonds1

About 4-thiophen-2-yl-5H-oxathiazole 2,2-dioxide

4-thiophen-2-yl-5H-oxathiazole 2,2-dioxide (PubChem CID 142711088) has the molecular formula C6H5NO3S2 and a molecular weight of 203.24 g/mol. Its IUPAC name is 4-thiophen-2-yl-5H-oxathiazole 2,2-dioxide.

Molecular Properties

Compound Name4-thiophen-2-yl-5H-oxathiazole 2,2-dioxide
PubChem CID142711088
Molecular FormulaC6H5NO3S2
Molecular Weight203.24 g/mol
Exact Mass202.97
IUPAC Name4-thiophen-2-yl-5H-oxathiazole 2,2-dioxide
SMILESO=S1(=O)N=C(c2cccs2)CO1
InChIInChI=1S/C6H5NO3S2/c8-12(9)7-5(4-10-12)6-2-1-3-11-6/h1-3H,4H2
InChIKeyKUZWNYQERORDEK-UHFFFAOYSA-N
XLogP0.81
TPSA55.73 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 50.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-thiophen-2-yl-5H-oxathiazole 2,2-dioxide?
The IUPAC name of 4-thiophen-2-yl-5H-oxathiazole 2,2-dioxide (CID 142711088) is 4-thiophen-2-yl-5H-oxathiazole 2,2-dioxide.
What is the SMILES notation for 4-thiophen-2-yl-5H-oxathiazole 2,2-dioxide?
The canonical SMILES for 4-thiophen-2-yl-5H-oxathiazole 2,2-dioxide is O=S1(=O)N=C(c2cccs2)CO1.
What is the InChIKey of 4-thiophen-2-yl-5H-oxathiazole 2,2-dioxide?
The InChIKey is KUZWNYQERORDEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5NO3S2/c8-12(9)7-5(4-10-12)6-2-1-3-11-6/h1-3H,4H2.
What are the key properties of 4-thiophen-2-yl-5H-oxathiazole 2,2-dioxide?
4-thiophen-2-yl-5H-oxathiazole 2,2-dioxide has a molecular weight of 203.24 g/mol, XLogP of 0.81, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-thiophen-2-yl-5H-oxathiazole 2,2-dioxide is sourced from PubChem (CID 142711088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).