4-methyl-3a,6a-dihydrothieno[3,2-b]pyrrole

C7H9NS — CID 23521304

IUPAC4-methyl-3a,6a-dihydrothieno[3,2-b]pyrrole
SMILESCN1C=CC2SC=CC21
InChIInChI=1S/C7H9NS/c1-8-4-2-7-6(8)3-5-9-7/h2-7H,1H3
InChIKeyBCFSNZYFASZEHB-UHFFFAOYSA-N
MW139.22 g/mol
LogP1.44
Rot. Bonds

About 4-methyl-3a,6a-dihydrothieno[3,2-b]pyrrole

4-methyl-3a,6a-dihydrothieno[3,2-b]pyrrole (PubChem CID 23521304) has the molecular formula C7H9NS and a molecular weight of 139.22 g/mol. Its IUPAC name is 4-methyl-3a,6a-dihydrothieno[3,2-b]pyrrole.

Molecular Properties

Compound Name4-methyl-3a,6a-dihydrothieno[3,2-b]pyrrole
PubChem CID23521304
Molecular FormulaC7H9NS
Molecular Weight139.22 g/mol
Exact Mass139.05
IUPAC Name4-methyl-3a,6a-dihydrothieno[3,2-b]pyrrole
SMILESCN1C=CC2SC=CC21
InChIInChI=1S/C7H9NS/c1-8-4-2-7-6(8)3-5-9-7/h2-7H,1H3
InChIKeyBCFSNZYFASZEHB-UHFFFAOYSA-N
XLogP1.44
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.22
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-3a,6a-dihydrothieno[3,2-b]pyrrole?
The IUPAC name of 4-methyl-3a,6a-dihydrothieno[3,2-b]pyrrole (CID 23521304) is 4-methyl-3a,6a-dihydrothieno[3,2-b]pyrrole.
What is the SMILES notation for 4-methyl-3a,6a-dihydrothieno[3,2-b]pyrrole?
The canonical SMILES for 4-methyl-3a,6a-dihydrothieno[3,2-b]pyrrole is CN1C=CC2SC=CC21.
What is the InChIKey of 4-methyl-3a,6a-dihydrothieno[3,2-b]pyrrole?
The InChIKey is BCFSNZYFASZEHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NS/c1-8-4-2-7-6(8)3-5-9-7/h2-7H,1H3.
What are the key properties of 4-methyl-3a,6a-dihydrothieno[3,2-b]pyrrole?
4-methyl-3a,6a-dihydrothieno[3,2-b]pyrrole has a molecular weight of 139.22 g/mol, XLogP of 1.44, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3a,6a-dihydrothieno[3,2-b]pyrrole is sourced from PubChem (CID 23521304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).