5-chloro-3-(3-ethylphenyl)-2-iodothiophene

C12H10ClIS — CID 68915085

IUPAC5-chloro-3-(3-ethylphenyl)-2-iodothiophene
SMILESCCc1cccc(-c2cc(Cl)sc2I)c1
InChIInChI=1S/C12H10ClIS/c1-2-8-4-3-5-9(6-8)10-7-11(13)15-12(10)14/h3-7H,2H2,1H3
InChIKeyNBHRIAIPBDRUNN-UHFFFAOYSA-N
MW348.64 g/mol
LogP5.24
Rot. Bonds2

About 5-chloro-3-(3-ethylphenyl)-2-iodothiophene

5-chloro-3-(3-ethylphenyl)-2-iodothiophene (PubChem CID 68915085) has the molecular formula C12H10ClIS and a molecular weight of 348.64 g/mol. Its IUPAC name is 5-chloro-3-(3-ethylphenyl)-2-iodothiophene.

Molecular Properties

Compound Name5-chloro-3-(3-ethylphenyl)-2-iodothiophene
PubChem CID68915085
Molecular FormulaC12H10ClIS
Molecular Weight348.64 g/mol
Exact Mass347.92
IUPAC Name5-chloro-3-(3-ethylphenyl)-2-iodothiophene
SMILESCCc1cccc(-c2cc(Cl)sc2I)c1
InChIInChI=1S/C12H10ClIS/c1-2-8-4-3-5-9(6-8)10-7-11(13)15-12(10)14/h3-7H,2H2,1H3
InChIKeyNBHRIAIPBDRUNN-UHFFFAOYSA-N
XLogP5.24
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.64
LogP ≤ 55.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-(3-ethylphenyl)-2-iodothiophene?
The IUPAC name of 5-chloro-3-(3-ethylphenyl)-2-iodothiophene (CID 68915085) is 5-chloro-3-(3-ethylphenyl)-2-iodothiophene.
What is the SMILES notation for 5-chloro-3-(3-ethylphenyl)-2-iodothiophene?
The canonical SMILES for 5-chloro-3-(3-ethylphenyl)-2-iodothiophene is CCc1cccc(-c2cc(Cl)sc2I)c1.
What is the InChIKey of 5-chloro-3-(3-ethylphenyl)-2-iodothiophene?
The InChIKey is NBHRIAIPBDRUNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClIS/c1-2-8-4-3-5-9(6-8)10-7-11(13)15-12(10)14/h3-7H,2H2,1H3.
What are the key properties of 5-chloro-3-(3-ethylphenyl)-2-iodothiophene?
5-chloro-3-(3-ethylphenyl)-2-iodothiophene has a molecular weight of 348.64 g/mol, XLogP of 5.24, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-(3-ethylphenyl)-2-iodothiophene is sourced from PubChem (CID 68915085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).