6-butyl-5H-thiopyrano[2,3-c]pyrrole

Name: 6-butyl-5H-thiopyrano[2,3-c]pyrrole — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₁H₁₅NS — CID 151071208

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC6-butyl-5H-thiopyrano[2,3-c]pyrrole

SMILESCCCCN1C=C2SC=CC=C2C1

InChIInChI=1S/C11H15NS/c1-2-3-6-12-8-10-5-4-7-13-11(10)9-12/h4-5,7,9H,2-3,6,8H2,1H3

InChIKeyMIEAZONEFGHRGS-UHFFFAOYSA-N

MW193.31 g/mol

LogP3.13

Rot. Bonds3

About 6-butyl-5H-thiopyrano[2,3-c]pyrrole

6-butyl-5H-thiopyrano[2,3-c]pyrrole (PubChem CID 151071208) has the molecular formula C₁₁H₁₅NS and a molecular weight of 193.31 g/mol. Its IUPAC name is 6-butyl-5H-thiopyrano[2,3-c]pyrrole.

Molecular Properties

Compound Name	6-butyl-5H-thiopyrano[2,3-c]pyrrole
PubChem CID	151071208
Molecular Formula	C₁₁H₁₅NS
Molecular Weight	193.31 g/mol
Exact Mass	193.09
IUPAC Name	6-butyl-5H-thiopyrano[2,3-c]pyrrole
SMILES	CCCCN1C=C2SC=CC=C2C1
InChI	InChI=1S/C11H15NS/c1-2-3-6-12-8-10-5-4-7-13-11(10)9-12/h4-5,7,9H,2-3,6,8H2,1H3
InChIKey	MIEAZONEFGHRGS-UHFFFAOYSA-N
XLogP	3.13
TPSA	3.24 Å²
H-Bond Donors
H-Bond Acceptors	2
Rotatable Bonds	3
Heavy Atoms	13
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	193.31
LogP ≤ 5	3.13
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 6-butyl-5H-thiopyrano[2,3-c]pyrrole?

The IUPAC name of 6-butyl-5H-thiopyrano[2,3-c]pyrrole (CID 151071208) is 6-butyl-5H-thiopyrano[2,3-c]pyrrole.

What is the SMILES notation for 6-butyl-5H-thiopyrano[2,3-c]pyrrole?

The canonical SMILES for 6-butyl-5H-thiopyrano[2,3-c]pyrrole is CCCCN1C=C2SC=CC=C2C1.

What is the InChIKey of 6-butyl-5H-thiopyrano[2,3-c]pyrrole?

The InChIKey is MIEAZONEFGHRGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NS/c1-2-3-6-12-8-10-5-4-7-13-11(10)9-12/h4-5,7,9H,2-3,6,8H2,1H3.

What are the key properties of 6-butyl-5H-thiopyrano[2,3-c]pyrrole?

6-butyl-5H-thiopyrano[2,3-c]pyrrole has a molecular weight of 193.31 g/mol, XLogP of 3.13, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 6-butyl-5H-thiopyrano[2,3-c]pyrrole is sourced from PubChem (CID 151071208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 151071208 — identifiers, structure, computed properties (public domain)

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