4,7a-dihydrothiopyrano[4,3-b]pyrrole

C7H7NS — CID 91024144

IUPAC4,7a-dihydrothiopyrano[4,3-b]pyrrole
SMILESC1=CC2N=CC=C2CS1
InChIInChI=1S/C7H7NS/c1-3-8-7-2-4-9-5-6(1)7/h1-4,7H,5H2
InChIKeyWUQRNQNPLUULFR-UHFFFAOYSA-N
MW137.21 g/mol
LogP1.63
Rot. Bonds

About 4,7a-dihydrothiopyrano[4,3-b]pyrrole

4,7a-dihydrothiopyrano[4,3-b]pyrrole (PubChem CID 91024144) has the molecular formula C7H7NS and a molecular weight of 137.21 g/mol. Its IUPAC name is 4,7a-dihydrothiopyrano[4,3-b]pyrrole.

Molecular Properties

Compound Name4,7a-dihydrothiopyrano[4,3-b]pyrrole
PubChem CID91024144
Molecular FormulaC7H7NS
Molecular Weight137.21 g/mol
Exact Mass137.03
IUPAC Name4,7a-dihydrothiopyrano[4,3-b]pyrrole
SMILESC1=CC2N=CC=C2CS1
InChIInChI=1S/C7H7NS/c1-3-8-7-2-4-9-5-6(1)7/h1-4,7H,5H2
InChIKeyWUQRNQNPLUULFR-UHFFFAOYSA-N
XLogP1.63
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.21
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,7a-dihydrothiopyrano[4,3-b]pyrrole?
The IUPAC name of 4,7a-dihydrothiopyrano[4,3-b]pyrrole (CID 91024144) is 4,7a-dihydrothiopyrano[4,3-b]pyrrole.
What is the SMILES notation for 4,7a-dihydrothiopyrano[4,3-b]pyrrole?
The canonical SMILES for 4,7a-dihydrothiopyrano[4,3-b]pyrrole is C1=CC2N=CC=C2CS1.
What is the InChIKey of 4,7a-dihydrothiopyrano[4,3-b]pyrrole?
The InChIKey is WUQRNQNPLUULFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7NS/c1-3-8-7-2-4-9-5-6(1)7/h1-4,7H,5H2.
What are the key properties of 4,7a-dihydrothiopyrano[4,3-b]pyrrole?
4,7a-dihydrothiopyrano[4,3-b]pyrrole has a molecular weight of 137.21 g/mol, XLogP of 1.63, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7a-dihydrothiopyrano[4,3-b]pyrrole is sourced from PubChem (CID 91024144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).