2H-thieno[2,3-b]pyrrole

C6H5NS — CID 69330287

IUPAC2H-thieno[2,3-b]pyrrole
SMILESC1=CC2=CCSC2=N1
InChIInChI=1S/C6H5NS/c1-3-7-6-5(1)2-4-8-6/h1-3H,4H2
InChIKeyBZKNIRBUIHTRQG-UHFFFAOYSA-N
MW123.18 g/mol
LogP1.59
Rot. Bonds

About 2H-thieno[2,3-b]pyrrole

2H-thieno[2,3-b]pyrrole (PubChem CID 69330287) has the molecular formula C6H5NS and a molecular weight of 123.18 g/mol. Its IUPAC name is 2H-thieno[2,3-b]pyrrole.

Molecular Properties

Compound Name2H-thieno[2,3-b]pyrrole
PubChem CID69330287
Molecular FormulaC6H5NS
Molecular Weight123.18 g/mol
Exact Mass123.01
IUPAC Name2H-thieno[2,3-b]pyrrole
SMILESC1=CC2=CCSC2=N1
InChIInChI=1S/C6H5NS/c1-3-7-6-5(1)2-4-8-6/h1-3H,4H2
InChIKeyBZKNIRBUIHTRQG-UHFFFAOYSA-N
XLogP1.59
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.18
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2H-thieno[2,3-b]pyrrole?
The IUPAC name of 2H-thieno[2,3-b]pyrrole (CID 69330287) is 2H-thieno[2,3-b]pyrrole.
What is the SMILES notation for 2H-thieno[2,3-b]pyrrole?
The canonical SMILES for 2H-thieno[2,3-b]pyrrole is C1=CC2=CCSC2=N1.
What is the InChIKey of 2H-thieno[2,3-b]pyrrole?
The InChIKey is BZKNIRBUIHTRQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5NS/c1-3-7-6-5(1)2-4-8-6/h1-3H,4H2.
What are the key properties of 2H-thieno[2,3-b]pyrrole?
2H-thieno[2,3-b]pyrrole has a molecular weight of 123.18 g/mol, XLogP of 1.59, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2H-thieno[2,3-b]pyrrole is sourced from PubChem (CID 69330287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).