2-(5-bromothiophen-2-yl)-2-(2-methylfuran-3-yl)sulfanylethanamine

Name: 2-(5-bromothiophen-2-yl)-2-(2-methylfuran-3-yl)sulfanylethanamine — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₁H₁₂BrNOS₂ — CID 107779881

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

IUPAC2-(5-bromothiophen-2-yl)-2-(2-methylfuran-3-yl)sulfanylethanamine

SMILESCc1occc1SC(CN)c1ccc(Br)s1

InChIInChI=1S/C11H12BrNOS2/c1-7-8(4-5-14-7)15-10(6-13)9-2-3-11(12)16-9/h2-5,10H,6,13H2,1H3

InChIKeyCQKGJHZOYLZUNW-UHFFFAOYSA-N

MW318.26 g/mol

LogP4.20

Rot. Bonds4

About 2-(5-bromothiophen-2-yl)-2-(2-methylfuran-3-yl)sulfanylethanamine

2-(5-bromothiophen-2-yl)-2-(2-methylfuran-3-yl)sulfanylethanamine (PubChem CID 107779881) has the molecular formula C₁₁H₁₂BrNOS₂ and a molecular weight of 318.26 g/mol. Its IUPAC name is 2-(5-bromothiophen-2-yl)-2-(2-methylfuran-3-yl)sulfanylethanamine.

Molecular Properties

Compound Name	2-(5-bromothiophen-2-yl)-2-(2-methylfuran-3-yl)sulfanylethanamine
PubChem CID	107779881
Molecular Formula	C₁₁H₁₂BrNOS₂
Molecular Weight	318.26 g/mol
Exact Mass	316.95
IUPAC Name	2-(5-bromothiophen-2-yl)-2-(2-methylfuran-3-yl)sulfanylethanamine
SMILES	Cc1occc1SC(CN)c1ccc(Br)s1
InChI	InChI=1S/C11H12BrNOS2/c1-7-8(4-5-14-7)15-10(6-13)9-2-3-11(12)16-9/h2-5,10H,6,13H2,1H3
InChIKey	CQKGJHZOYLZUNW-UHFFFAOYSA-N
XLogP	4.20
TPSA	39.16 Å²
H-Bond Donors	1
H-Bond Acceptors	4
Rotatable Bonds	4
Heavy Atoms	16
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	318.26
LogP ≤ 5	4.20
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromothiophen-2-yl)-2-(2-methylfuran-3-yl)sulfanylethanamine?

The IUPAC name of 2-(5-bromothiophen-2-yl)-2-(2-methylfuran-3-yl)sulfanylethanamine (CID 107779881) is 2-(5-bromothiophen-2-yl)-2-(2-methylfuran-3-yl)sulfanylethanamine.

What is the SMILES notation for 2-(5-bromothiophen-2-yl)-2-(2-methylfuran-3-yl)sulfanylethanamine?

The canonical SMILES for 2-(5-bromothiophen-2-yl)-2-(2-methylfuran-3-yl)sulfanylethanamine is Cc1occc1SC(CN)c1ccc(Br)s1.

What is the InChIKey of 2-(5-bromothiophen-2-yl)-2-(2-methylfuran-3-yl)sulfanylethanamine?

The InChIKey is CQKGJHZOYLZUNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrNOS2/c1-7-8(4-5-14-7)15-10(6-13)9-2-3-11(12)16-9/h2-5,10H,6,13H2,1H3.

What are the key properties of 2-(5-bromothiophen-2-yl)-2-(2-methylfuran-3-yl)sulfanylethanamine?

2-(5-bromothiophen-2-yl)-2-(2-methylfuran-3-yl)sulfanylethanamine has a molecular weight of 318.26 g/mol, XLogP of 4.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(5-bromothiophen-2-yl)-2-(2-methylfuran-3-yl)sulfanylethanamine is sourced from PubChem (CID 107779881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 107779881 — identifiers, structure, computed properties (public domain)

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