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

C8H9NS — CID 59683331

IUPAC3,5-dimethyl-6H-thieno[2,3-b]pyrrole
SMILESCc1cc2c(C)csc2[nH]1
InChIInChI=1S/C8H9NS/c1-5-4-10-8-7(5)3-6(2)9-8/h3-4,9H,1-2H3
InChIKeyHSTCODQTYOBWDA-UHFFFAOYSA-N
MW151.23 g/mol
LogP2.85
Rot. Bonds

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

3,5-dimethyl-6H-thieno[2,3-b]pyrrole (PubChem CID 59683331) has the molecular formula C8H9NS and a molecular weight of 151.23 g/mol. Its IUPAC name is 3,5-dimethyl-6H-thieno[2,3-b]pyrrole.

Molecular Properties

Compound Name3,5-dimethyl-6H-thieno[2,3-b]pyrrole
PubChem CID59683331
Molecular FormulaC8H9NS
Molecular Weight151.23 g/mol
Exact Mass151.05
IUPAC Name3,5-dimethyl-6H-thieno[2,3-b]pyrrole
SMILESCc1cc2c(C)csc2[nH]1
InChIInChI=1S/C8H9NS/c1-5-4-10-8-7(5)3-6(2)9-8/h3-4,9H,1-2H3
InChIKeyHSTCODQTYOBWDA-UHFFFAOYSA-N
XLogP2.85
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.23
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-6H-thieno[2,3-b]pyrrole?
The IUPAC name of 3,5-dimethyl-6H-thieno[2,3-b]pyrrole (CID 59683331) is 3,5-dimethyl-6H-thieno[2,3-b]pyrrole.
What is the SMILES notation for 3,5-dimethyl-6H-thieno[2,3-b]pyrrole?
The canonical SMILES for 3,5-dimethyl-6H-thieno[2,3-b]pyrrole is Cc1cc2c(C)csc2[nH]1.
What is the InChIKey of 3,5-dimethyl-6H-thieno[2,3-b]pyrrole?
The InChIKey is HSTCODQTYOBWDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NS/c1-5-4-10-8-7(5)3-6(2)9-8/h3-4,9H,1-2H3.
What are the key properties of 3,5-dimethyl-6H-thieno[2,3-b]pyrrole?
3,5-dimethyl-6H-thieno[2,3-b]pyrrole has a molecular weight of 151.23 g/mol, XLogP of 2.85, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-6H-thieno[2,3-b]pyrrole is sourced from PubChem (CID 59683331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).