2,5-dithiophen-2-yl-1H-pyrrole

C12H9NS2 — CID 4175110

IUPAC2,5-dithiophen-2-yl-1H-pyrrole
SMILESc1csc(-c2ccc(-c3cccs3)[nH]2)c1
InChIInChI=1S/C12H9NS2/c1-3-11(14-7-1)9-5-6-10(13-9)12-4-2-8-15-12/h1-8,13H
InChIKeyREHRCHHNCOTPBV-UHFFFAOYSA-N
MW231.35 g/mol
LogP4.47
Rot. Bonds2

About 2,5-dithiophen-2-yl-1H-pyrrole

2,5-dithiophen-2-yl-1H-pyrrole (PubChem CID 4175110) has the molecular formula C12H9NS2 and a molecular weight of 231.35 g/mol. Its IUPAC name is 2,5-dithiophen-2-yl-1H-pyrrole.

Molecular Properties

Compound Name2,5-dithiophen-2-yl-1H-pyrrole
PubChem CID4175110
Molecular FormulaC12H9NS2
Molecular Weight231.35 g/mol
Exact Mass231.02
IUPAC Name2,5-dithiophen-2-yl-1H-pyrrole
SMILESc1csc(-c2ccc(-c3cccs3)[nH]2)c1
InChIInChI=1S/C12H9NS2/c1-3-11(14-7-1)9-5-6-10(13-9)12-4-2-8-15-12/h1-8,13H
InChIKeyREHRCHHNCOTPBV-UHFFFAOYSA-N
XLogP4.47
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.35
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,5-dithiophen-2-yl-1H-pyrrole?
The IUPAC name of 2,5-dithiophen-2-yl-1H-pyrrole (CID 4175110) is 2,5-dithiophen-2-yl-1H-pyrrole.
What is the SMILES notation for 2,5-dithiophen-2-yl-1H-pyrrole?
The canonical SMILES for 2,5-dithiophen-2-yl-1H-pyrrole is c1csc(-c2ccc(-c3cccs3)[nH]2)c1.
What is the InChIKey of 2,5-dithiophen-2-yl-1H-pyrrole?
The InChIKey is REHRCHHNCOTPBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9NS2/c1-3-11(14-7-1)9-5-6-10(13-9)12-4-2-8-15-12/h1-8,13H.
What are the key properties of 2,5-dithiophen-2-yl-1H-pyrrole?
2,5-dithiophen-2-yl-1H-pyrrole has a molecular weight of 231.35 g/mol, XLogP of 4.47, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dithiophen-2-yl-1H-pyrrole is sourced from PubChem (CID 4175110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).