7,7a-dihydrothiopyrano[2,3-b]pyrrole

C7H7NS — CID 22556929

IUPAC7,7a-dihydrothiopyrano[2,3-b]pyrrole
SMILESC1=CSC2NC=CC2=C1
InChIInChI=1S/C7H7NS/c1-2-6-3-4-8-7(6)9-5-1/h1-5,7-8H
InChIKeyYTOJMOLFOWZWBA-UHFFFAOYSA-N
MW137.21 g/mol
LogP1.62
Rot. Bonds

About 7,7a-dihydrothiopyrano[2,3-b]pyrrole

7,7a-dihydrothiopyrano[2,3-b]pyrrole (PubChem CID 22556929) has the molecular formula C7H7NS and a molecular weight of 137.21 g/mol. Its IUPAC name is 7,7a-dihydrothiopyrano[2,3-b]pyrrole.

Molecular Properties

Compound Name7,7a-dihydrothiopyrano[2,3-b]pyrrole
PubChem CID22556929
Molecular FormulaC7H7NS
Molecular Weight137.21 g/mol
Exact Mass137.03
IUPAC Name7,7a-dihydrothiopyrano[2,3-b]pyrrole
SMILESC1=CSC2NC=CC2=C1
InChIInChI=1S/C7H7NS/c1-2-6-3-4-8-7(6)9-5-1/h1-5,7-8H
InChIKeyYTOJMOLFOWZWBA-UHFFFAOYSA-N
XLogP1.62
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.21
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7,7a-dihydrothiopyrano[2,3-b]pyrrole?
The IUPAC name of 7,7a-dihydrothiopyrano[2,3-b]pyrrole (CID 22556929) is 7,7a-dihydrothiopyrano[2,3-b]pyrrole.
What is the SMILES notation for 7,7a-dihydrothiopyrano[2,3-b]pyrrole?
The canonical SMILES for 7,7a-dihydrothiopyrano[2,3-b]pyrrole is C1=CSC2NC=CC2=C1.
What is the InChIKey of 7,7a-dihydrothiopyrano[2,3-b]pyrrole?
The InChIKey is YTOJMOLFOWZWBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7NS/c1-2-6-3-4-8-7(6)9-5-1/h1-5,7-8H.
What are the key properties of 7,7a-dihydrothiopyrano[2,3-b]pyrrole?
7,7a-dihydrothiopyrano[2,3-b]pyrrole has a molecular weight of 137.21 g/mol, XLogP of 1.62, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7a-dihydrothiopyrano[2,3-b]pyrrole is sourced from PubChem (CID 22556929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).