2-ethyl-4-iodo-1-benzothiophene

C10H9IS — CID 135322307

IUPAC2-ethyl-4-iodo-1-benzothiophene
SMILESCCc1cc2c(I)cccc2s1
InChIInChI=1S/C10H9IS/c1-2-7-6-8-9(11)4-3-5-10(8)12-7/h3-6H,2H2,1H3
InChIKeyALNPDXQQPQBXEI-UHFFFAOYSA-N
MW288.15 g/mol
LogP4.07
Rot. Bonds1

About 2-ethyl-4-iodo-1-benzothiophene

2-ethyl-4-iodo-1-benzothiophene (PubChem CID 135322307) has the molecular formula C10H9IS and a molecular weight of 288.15 g/mol. Its IUPAC name is 2-ethyl-4-iodo-1-benzothiophene.

Molecular Properties

Compound Name2-ethyl-4-iodo-1-benzothiophene
PubChem CID135322307
Molecular FormulaC10H9IS
Molecular Weight288.15 g/mol
Exact Mass287.95
IUPAC Name2-ethyl-4-iodo-1-benzothiophene
SMILESCCc1cc2c(I)cccc2s1
InChIInChI=1S/C10H9IS/c1-2-7-6-8-9(11)4-3-5-10(8)12-7/h3-6H,2H2,1H3
InChIKeyALNPDXQQPQBXEI-UHFFFAOYSA-N
XLogP4.07
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.15
LogP ≤ 54.07
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

7,16-diethyl-6,17-dithiapentacyclo[11.7.0.02,10.05,9.014,18]icosa-1(13),2(10),3,5(9),7,11,14(18),15,19-nonaene
CID 118651605
7-ethyl-2-propan-2-ylthieno[3,2-e][1]benzothiole
CID 144783026
5-bromo-4-chloro-2-ethyl-1-benzothiophene
CID 131030854
7-ethyl-6,18-dithiahexacyclo[11.11.0.02,10.05,9.014,22.017,21]tetracosa-1(13),2(10),3,5(9),7,11,14(22),15,17(21),19,23-undecaene
CID 58411414
4-bromo-5-(bromomethyl)-2-ethyl-1-benzothiophene
CID 130792061
4-(bromomethyl)-2-ethyl-1-benzothiophen-5-amine
CID 130788319
2-ethyl-5-methylsulfanyl-1-benzothiophen-4-ol
CID 130913641
(5-bromo-2-ethyl-1-benzothiophen-4-yl)methanol
CID 130951766
2-ethyl-5-iodo-1-benzothiophene-6-thiol
CID 130961893
2-(fluoromethyl)-1-benzothiophen-4-ol
CID 84658438
4-bromo-2-(ethylsulfonylmethyl)-1-benzothiophene
CID 117172812
2-(4-methyl-1-benzothiophen-2-yl)acetaldehyde
CID 117194333

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-iodo-1-benzothiophene?
The IUPAC name of 2-ethyl-4-iodo-1-benzothiophene (CID 135322307) is 2-ethyl-4-iodo-1-benzothiophene.
What is the SMILES notation for 2-ethyl-4-iodo-1-benzothiophene?
The canonical SMILES for 2-ethyl-4-iodo-1-benzothiophene is CCc1cc2c(I)cccc2s1.
What is the InChIKey of 2-ethyl-4-iodo-1-benzothiophene?
The InChIKey is ALNPDXQQPQBXEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9IS/c1-2-7-6-8-9(11)4-3-5-10(8)12-7/h3-6H,2H2,1H3.
What are the key properties of 2-ethyl-4-iodo-1-benzothiophene?
2-ethyl-4-iodo-1-benzothiophene has a molecular weight of 288.15 g/mol, XLogP of 4.07, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-iodo-1-benzothiophene is sourced from PubChem (CID 135322307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).