2-(bromomethyl)-5-(5-chlorothiophen-2-yl)thiophene

C9H6BrClS2 — CID 69027122

IUPAC2-(bromomethyl)-5-(5-chlorothiophen-2-yl)thiophene
SMILESClc1ccc(-c2ccc(CBr)s2)s1
InChIInChI=1S/C9H6BrClS2/c10-5-6-1-2-7(12-6)8-3-4-9(11)13-8/h1-4H,5H2
InChIKeyGLPPKHRDYWCIDA-UHFFFAOYSA-N
MW293.64 g/mol
LogP5.02
Rot. Bonds2

About 2-(bromomethyl)-5-(5-chlorothiophen-2-yl)thiophene

2-(bromomethyl)-5-(5-chlorothiophen-2-yl)thiophene (PubChem CID 69027122) has the molecular formula C9H6BrClS2 and a molecular weight of 293.64 g/mol. Its IUPAC name is 2-(bromomethyl)-5-(5-chlorothiophen-2-yl)thiophene.

Molecular Properties

Compound Name2-(bromomethyl)-5-(5-chlorothiophen-2-yl)thiophene
PubChem CID69027122
Molecular FormulaC9H6BrClS2
Molecular Weight293.64 g/mol
Exact Mass291.88
IUPAC Name2-(bromomethyl)-5-(5-chlorothiophen-2-yl)thiophene
SMILESClc1ccc(-c2ccc(CBr)s2)s1
InChIInChI=1S/C9H6BrClS2/c10-5-6-1-2-7(12-6)8-3-4-9(11)13-8/h1-4H,5H2
InChIKeyGLPPKHRDYWCIDA-UHFFFAOYSA-N
XLogP5.02
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500293.64
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(bromomethyl)-5-(5-chlorothiophen-2-yl)thiophene?
The IUPAC name of 2-(bromomethyl)-5-(5-chlorothiophen-2-yl)thiophene (CID 69027122) is 2-(bromomethyl)-5-(5-chlorothiophen-2-yl)thiophene.
What is the SMILES notation for 2-(bromomethyl)-5-(5-chlorothiophen-2-yl)thiophene?
The canonical SMILES for 2-(bromomethyl)-5-(5-chlorothiophen-2-yl)thiophene is Clc1ccc(-c2ccc(CBr)s2)s1.
What is the InChIKey of 2-(bromomethyl)-5-(5-chlorothiophen-2-yl)thiophene?
The InChIKey is GLPPKHRDYWCIDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6BrClS2/c10-5-6-1-2-7(12-6)8-3-4-9(11)13-8/h1-4H,5H2.
What are the key properties of 2-(bromomethyl)-5-(5-chlorothiophen-2-yl)thiophene?
2-(bromomethyl)-5-(5-chlorothiophen-2-yl)thiophene has a molecular weight of 293.64 g/mol, XLogP of 5.02, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(bromomethyl)-5-(5-chlorothiophen-2-yl)thiophene is sourced from PubChem (CID 69027122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).