1-methyl-2,5-dithiophen-2-ylpyrrole

C13H11NS2 — CID 15151607

IUPAC1-methyl-2,5-dithiophen-2-ylpyrrole
SMILESCn1c(-c2cccs2)ccc1-c1cccs1
InChIInChI=1S/C13H11NS2/c1-14-10(12-4-2-8-15-12)6-7-11(14)13-5-3-9-16-13/h2-9H,1H3
InChIKeyPGFNUASIFPKIAM-UHFFFAOYSA-N
MW245.37 g/mol
LogP4.48
Rot. Bonds2

About 1-methyl-2,5-dithiophen-2-ylpyrrole

1-methyl-2,5-dithiophen-2-ylpyrrole (PubChem CID 15151607) has the molecular formula C13H11NS2 and a molecular weight of 245.37 g/mol. Its IUPAC name is 1-methyl-2,5-dithiophen-2-ylpyrrole.

Molecular Properties

Compound Name1-methyl-2,5-dithiophen-2-ylpyrrole
PubChem CID15151607
Molecular FormulaC13H11NS2
Molecular Weight245.37 g/mol
Exact Mass245.03
IUPAC Name1-methyl-2,5-dithiophen-2-ylpyrrole
SMILESCn1c(-c2cccs2)ccc1-c1cccs1
InChIInChI=1S/C13H11NS2/c1-14-10(12-4-2-8-15-12)6-7-11(14)13-5-3-9-16-13/h2-9H,1H3
InChIKeyPGFNUASIFPKIAM-UHFFFAOYSA-N
XLogP4.48
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2,5-dithiophen-2-ylpyrrole?
The IUPAC name of 1-methyl-2,5-dithiophen-2-ylpyrrole (CID 15151607) is 1-methyl-2,5-dithiophen-2-ylpyrrole.
What is the SMILES notation for 1-methyl-2,5-dithiophen-2-ylpyrrole?
The canonical SMILES for 1-methyl-2,5-dithiophen-2-ylpyrrole is Cn1c(-c2cccs2)ccc1-c1cccs1.
What is the InChIKey of 1-methyl-2,5-dithiophen-2-ylpyrrole?
The InChIKey is PGFNUASIFPKIAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NS2/c1-14-10(12-4-2-8-15-12)6-7-11(14)13-5-3-9-16-13/h2-9H,1H3.
What are the key properties of 1-methyl-2,5-dithiophen-2-ylpyrrole?
1-methyl-2,5-dithiophen-2-ylpyrrole has a molecular weight of 245.37 g/mol, XLogP of 4.48, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2,5-dithiophen-2-ylpyrrole is sourced from PubChem (CID 15151607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).