3-(2-bromo-1-chloro-2-iodoethenyl)thiophene

C6H3BrClIS — CID 175317852

IUPAC3-(2-bromo-1-chloro-2-iodoethenyl)thiophene
SMILESClC(=C(Br)I)c1ccsc1
InChIInChI=1S/C6H3BrClIS/c7-6(9)5(8)4-1-2-10-3-4/h1-3H
InChIKeyFERGQIGBJMDHJY-UHFFFAOYSA-N
MW349.42 g/mol
LogP4.44
Rot. Bonds1

About 3-(2-bromo-1-chloro-2-iodoethenyl)thiophene

3-(2-bromo-1-chloro-2-iodoethenyl)thiophene (PubChem CID 175317852) has the molecular formula C6H3BrClIS and a molecular weight of 349.42 g/mol. Its IUPAC name is 3-(2-bromo-1-chloro-2-iodoethenyl)thiophene.

Molecular Properties

Compound Name3-(2-bromo-1-chloro-2-iodoethenyl)thiophene
PubChem CID175317852
Molecular FormulaC6H3BrClIS
Molecular Weight349.42 g/mol
Exact Mass347.79
IUPAC Name3-(2-bromo-1-chloro-2-iodoethenyl)thiophene
SMILESClC(=C(Br)I)c1ccsc1
InChIInChI=1S/C6H3BrClIS/c7-6(9)5(8)4-1-2-10-3-4/h1-3H
InChIKeyFERGQIGBJMDHJY-UHFFFAOYSA-N
XLogP4.44
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.42
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-(1-chloro-2-iodoethenyl)thiophene
CID 175317820
3-but-1-en-2-ylthiophene
CID 91086928
[amino(thiophen-3-yl)methylidene]azanium
CID 6932604
(E)-3-chloro-2-pyridin-3-yl-3-thiophen-3-ylprop-2-enenitrile
CID 80523437
N-(3-chloro-2,2-dimethylpropyl)thiophene-3-carboxamide
CID 115364717
3-amino-3-thiophen-3-ylprop-2-enenitrile
CID 54536012
2-methyl-1-thiophen-3-ylprop-2-en-1-one
CID 69300570
N-[2-(thiophene-3-carbonylamino)ethyl]thiophene-3-carboxamide
CID 101004058
thiophene-3-carboximidamide;hydrochloride
CID 2779692
2-hydroxyimino-2-thiophen-3-ylacetonitrile
CID 57325265
2-thiophen-3-ylbut-2-enal
CID 173416997
2-bromo-1-thiophen-3-ylbutan-1-one
CID 59598618

Frequently Asked Questions

What is the IUPAC name of 3-(2-bromo-1-chloro-2-iodoethenyl)thiophene?
The IUPAC name of 3-(2-bromo-1-chloro-2-iodoethenyl)thiophene (CID 175317852) is 3-(2-bromo-1-chloro-2-iodoethenyl)thiophene.
What is the SMILES notation for 3-(2-bromo-1-chloro-2-iodoethenyl)thiophene?
The canonical SMILES for 3-(2-bromo-1-chloro-2-iodoethenyl)thiophene is ClC(=C(Br)I)c1ccsc1.
What is the InChIKey of 3-(2-bromo-1-chloro-2-iodoethenyl)thiophene?
The InChIKey is FERGQIGBJMDHJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3BrClIS/c7-6(9)5(8)4-1-2-10-3-4/h1-3H.
What are the key properties of 3-(2-bromo-1-chloro-2-iodoethenyl)thiophene?
3-(2-bromo-1-chloro-2-iodoethenyl)thiophene has a molecular weight of 349.42 g/mol, XLogP of 4.44, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromo-1-chloro-2-iodoethenyl)thiophene is sourced from PubChem (CID 175317852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).