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

C6H4ClIS — CID 175317820

IUPAC3-(1-chloro-2-iodoethenyl)thiophene
SMILESClC(=CI)c1ccsc1
InChIInChI=1S/C6H4ClIS/c7-6(3-8)5-1-2-9-4-5/h1-4H
InChIKeyAWTTYODNMVOABD-UHFFFAOYSA-N
MW270.52 g/mol
LogP3.72
Rot. Bonds1

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

3-(1-chloro-2-iodoethenyl)thiophene (PubChem CID 175317820) has the molecular formula C6H4ClIS and a molecular weight of 270.52 g/mol. Its IUPAC name is 3-(1-chloro-2-iodoethenyl)thiophene.

Molecular Properties

Compound Name3-(1-chloro-2-iodoethenyl)thiophene
PubChem CID175317820
Molecular FormulaC6H4ClIS
Molecular Weight270.52 g/mol
Exact Mass269.88
IUPAC Name3-(1-chloro-2-iodoethenyl)thiophene
SMILESClC(=CI)c1ccsc1
InChIInChI=1S/C6H4ClIS/c7-6(3-8)5-1-2-9-4-5/h1-4H
InChIKeyAWTTYODNMVOABD-UHFFFAOYSA-N
XLogP3.72
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.52
LogP ≤ 53.72
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-(2-bromo-1-chloro-2-iodoethenyl)thiophene
CID 175317852
2-(2-oxo-2-thiophen-3-ylethyl)propanedioic acid
CID 6611424
[amino(thiophen-3-yl)methylidene]azanium
CID 6932604
2-methyl-1-thiophen-3-ylprop-2-en-1-one
CID 69300570
N-[2-(thiophene-3-carbonylamino)ethyl]thiophene-3-carboxamide
CID 101004058
2-thiophen-3-ylbut-2-enal
CID 173416997
2-(thiophene-3-carbonyl)cyclopropane-1-carboxylic acid
CID 123320476
N-(5-acetyl-2-chlorophenyl)thiophene-3-carboxamide
CID 84587481
1-thiophen-3-ylbut-3-yn-1-one
CID 62234411
3-(chloromethyl)-1-thiophen-3-ylbut-3-en-1-one
CID 10081525
3-(dimethylamino)-1-thiophen-3-ylbut-2-en-1-one
CID 2764349
(Z)-3-cyano-3-thiophen-3-ylprop-2-enoic acid
CID 68504619

Frequently Asked Questions

What is the IUPAC name of 3-(1-chloro-2-iodoethenyl)thiophene?
The IUPAC name of 3-(1-chloro-2-iodoethenyl)thiophene (CID 175317820) is 3-(1-chloro-2-iodoethenyl)thiophene.
What is the SMILES notation for 3-(1-chloro-2-iodoethenyl)thiophene?
The canonical SMILES for 3-(1-chloro-2-iodoethenyl)thiophene is ClC(=CI)c1ccsc1.
What is the InChIKey of 3-(1-chloro-2-iodoethenyl)thiophene?
The InChIKey is AWTTYODNMVOABD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4ClIS/c7-6(3-8)5-1-2-9-4-5/h1-4H.
What are the key properties of 3-(1-chloro-2-iodoethenyl)thiophene?
3-(1-chloro-2-iodoethenyl)thiophene has a molecular weight of 270.52 g/mol, XLogP of 3.72, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-chloro-2-iodoethenyl)thiophene is sourced from PubChem (CID 175317820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).