2,4,5-trimethyl-6H-thieno[2,3-b]pyrrole

C9H11NS — CID 176804488

IUPAC2,4,5-trimethyl-6H-thieno[2,3-b]pyrrole
SMILESCc1cc2c(C)c(C)[nH]c2s1
InChIInChI=1S/C9H11NS/c1-5-4-8-6(2)7(3)10-9(8)11-5/h4,10H,1-3H3
InChIKeyAGXPRSCXNNKWFY-UHFFFAOYSA-N
MW165.26 g/mol
LogP3.15
Rot. Bonds

About 2,4,5-trimethyl-6H-thieno[2,3-b]pyrrole

2,4,5-trimethyl-6H-thieno[2,3-b]pyrrole (PubChem CID 176804488) has the molecular formula C9H11NS and a molecular weight of 165.26 g/mol. Its IUPAC name is 2,4,5-trimethyl-6H-thieno[2,3-b]pyrrole.

Molecular Properties

Compound Name2,4,5-trimethyl-6H-thieno[2,3-b]pyrrole
PubChem CID176804488
Molecular FormulaC9H11NS
Molecular Weight165.26 g/mol
Exact Mass165.06
IUPAC Name2,4,5-trimethyl-6H-thieno[2,3-b]pyrrole
SMILESCc1cc2c(C)c(C)[nH]c2s1
InChIInChI=1S/C9H11NS/c1-5-4-8-6(2)7(3)10-9(8)11-5/h4,10H,1-3H3
InChIKeyAGXPRSCXNNKWFY-UHFFFAOYSA-N
XLogP3.15
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.26
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,4,5-trimethyl-6H-thieno[2,3-b]pyrrole?
The IUPAC name of 2,4,5-trimethyl-6H-thieno[2,3-b]pyrrole (CID 176804488) is 2,4,5-trimethyl-6H-thieno[2,3-b]pyrrole.
What is the SMILES notation for 2,4,5-trimethyl-6H-thieno[2,3-b]pyrrole?
The canonical SMILES for 2,4,5-trimethyl-6H-thieno[2,3-b]pyrrole is Cc1cc2c(C)c(C)[nH]c2s1.
What is the InChIKey of 2,4,5-trimethyl-6H-thieno[2,3-b]pyrrole?
The InChIKey is AGXPRSCXNNKWFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NS/c1-5-4-8-6(2)7(3)10-9(8)11-5/h4,10H,1-3H3.
What are the key properties of 2,4,5-trimethyl-6H-thieno[2,3-b]pyrrole?
2,4,5-trimethyl-6H-thieno[2,3-b]pyrrole has a molecular weight of 165.26 g/mol, XLogP of 3.15, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,5-trimethyl-6H-thieno[2,3-b]pyrrole is sourced from PubChem (CID 176804488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).