4H-thieno[3,4-b]pyrrole

C6H5NS — CID 69330882

IUPAC4H-thieno[3,4-b]pyrrole
SMILESC1=NC2=CSCC2=C1
InChIInChI=1S/C6H5NS/c1-2-7-6-4-8-3-5(1)6/h1-2,4H,3H2
InChIKeyROCCABPGUWDISV-UHFFFAOYSA-N
MW123.18 g/mol
LogP1.59
Rot. Bonds

About 4H-thieno[3,4-b]pyrrole

4H-thieno[3,4-b]pyrrole (PubChem CID 69330882) has the molecular formula C6H5NS and a molecular weight of 123.18 g/mol. Its IUPAC name is 4H-thieno[3,4-b]pyrrole.

Molecular Properties

Compound Name4H-thieno[3,4-b]pyrrole
PubChem CID69330882
Molecular FormulaC6H5NS
Molecular Weight123.18 g/mol
Exact Mass123.01
IUPAC Name4H-thieno[3,4-b]pyrrole
SMILESC1=NC2=CSCC2=C1
InChIInChI=1S/C6H5NS/c1-2-7-6-4-8-3-5(1)6/h1-2,4H,3H2
InChIKeyROCCABPGUWDISV-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 4H-thieno[3,4-b]pyrrole?
The IUPAC name of 4H-thieno[3,4-b]pyrrole (CID 69330882) is 4H-thieno[3,4-b]pyrrole.
What is the SMILES notation for 4H-thieno[3,4-b]pyrrole?
The canonical SMILES for 4H-thieno[3,4-b]pyrrole is C1=NC2=CSCC2=C1.
What is the InChIKey of 4H-thieno[3,4-b]pyrrole?
The InChIKey is ROCCABPGUWDISV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5NS/c1-2-7-6-4-8-3-5(1)6/h1-2,4H,3H2.
What are the key properties of 4H-thieno[3,4-b]pyrrole?
4H-thieno[3,4-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 4H-thieno[3,4-b]pyrrole is sourced from PubChem (CID 69330882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).