thiophene;1-thiophen-2-ylpyrrole

C12H11NS2 — CID 19853494

IUPACthiophene;1-thiophen-2-ylpyrrole
SMILESc1ccsc1.c1csc(-n2cccc2)c1
InChIInChI=1S/C8H7NS.C4H4S/c1-2-6-9(5-1)8-4-3-7-10-8;1-2-4-5-3-1/h1-7H;1-4H
InChIKeyJXJBZVLLZDPHJA-UHFFFAOYSA-N
MW233.36 g/mol
LogP4.29
Rot. Bonds1

About thiophene;1-thiophen-2-ylpyrrole

thiophene;1-thiophen-2-ylpyrrole (PubChem CID 19853494) has the molecular formula C12H11NS2 and a molecular weight of 233.36 g/mol. Its IUPAC name is thiophene;1-thiophen-2-ylpyrrole.

Molecular Properties

Compound Namethiophene;1-thiophen-2-ylpyrrole
PubChem CID19853494
Molecular FormulaC12H11NS2
Molecular Weight233.36 g/mol
Exact Mass233.03
IUPAC Namethiophene;1-thiophen-2-ylpyrrole
SMILESc1ccsc1.c1csc(-n2cccc2)c1
InChIInChI=1S/C8H7NS.C4H4S/c1-2-6-9(5-1)8-4-3-7-10-8;1-2-4-5-3-1/h1-7H;1-4H
InChIKeyJXJBZVLLZDPHJA-UHFFFAOYSA-N
XLogP4.29
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of thiophene;1-thiophen-2-ylpyrrole?
The IUPAC name of thiophene;1-thiophen-2-ylpyrrole (CID 19853494) is thiophene;1-thiophen-2-ylpyrrole.
What is the SMILES notation for thiophene;1-thiophen-2-ylpyrrole?
The canonical SMILES for thiophene;1-thiophen-2-ylpyrrole is c1ccsc1.c1csc(-n2cccc2)c1.
What is the InChIKey of thiophene;1-thiophen-2-ylpyrrole?
The InChIKey is JXJBZVLLZDPHJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7NS.C4H4S/c1-2-6-9(5-1)8-4-3-7-10-8;1-2-4-5-3-1/h1-7H;1-4H.
What are the key properties of thiophene;1-thiophen-2-ylpyrrole?
thiophene;1-thiophen-2-ylpyrrole has a molecular weight of 233.36 g/mol, XLogP of 4.29, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for thiophene;1-thiophen-2-ylpyrrole is sourced from PubChem (CID 19853494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).