4H-thieno[3,2-b]pyrrole 1,1-dioxide

C6H5NO2S — CID 66610514

IUPAC4H-thieno[3,2-b]pyrrole 1,1-dioxide
SMILESO=S1(=O)C=Cc2[nH]ccc21
InChIInChI=1S/C6H5NO2S/c8-10(9)4-2-5-6(10)1-3-7-5/h1-4,7H
InChIKeyZJPJKWKGMKYBJG-UHFFFAOYSA-N
MW155.18 g/mol
LogP0.77
Rot. Bonds

About 4H-thieno[3,2-b]pyrrole 1,1-dioxide

4H-thieno[3,2-b]pyrrole 1,1-dioxide (PubChem CID 66610514) has the molecular formula C6H5NO2S and a molecular weight of 155.18 g/mol. Its IUPAC name is 4H-thieno[3,2-b]pyrrole 1,1-dioxide.

Molecular Properties

Compound Name4H-thieno[3,2-b]pyrrole 1,1-dioxide
PubChem CID66610514
Molecular FormulaC6H5NO2S
Molecular Weight155.18 g/mol
Exact Mass155.00
IUPAC Name4H-thieno[3,2-b]pyrrole 1,1-dioxide
SMILESO=S1(=O)C=Cc2[nH]ccc21
InChIInChI=1S/C6H5NO2S/c8-10(9)4-2-5-6(10)1-3-7-5/h1-4,7H
InChIKeyZJPJKWKGMKYBJG-UHFFFAOYSA-N
XLogP0.77
TPSA49.93 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.18
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4H-thieno[3,2-b]pyrrole 1,1-dioxide?
The IUPAC name of 4H-thieno[3,2-b]pyrrole 1,1-dioxide (CID 66610514) is 4H-thieno[3,2-b]pyrrole 1,1-dioxide.
What is the SMILES notation for 4H-thieno[3,2-b]pyrrole 1,1-dioxide?
The canonical SMILES for 4H-thieno[3,2-b]pyrrole 1,1-dioxide is O=S1(=O)C=Cc2[nH]ccc21.
What is the InChIKey of 4H-thieno[3,2-b]pyrrole 1,1-dioxide?
The InChIKey is ZJPJKWKGMKYBJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5NO2S/c8-10(9)4-2-5-6(10)1-3-7-5/h1-4,7H.
What are the key properties of 4H-thieno[3,2-b]pyrrole 1,1-dioxide?
4H-thieno[3,2-b]pyrrole 1,1-dioxide has a molecular weight of 155.18 g/mol, XLogP of 0.77, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4H-thieno[3,2-b]pyrrole 1,1-dioxide is sourced from PubChem (CID 66610514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).