4-ethyl-6-iodo-1-benzothiophen-5-amine

C10H10INS — CID 130866246

IUPAC4-ethyl-6-iodo-1-benzothiophen-5-amine
SMILESCCc1c(N)c(I)cc2sccc12
InChIInChI=1S/C10H10INS/c1-2-6-7-3-4-13-9(7)5-8(11)10(6)12/h3-5H,2,12H2,1H3
InChIKeyNJRBYAWXUVJTAA-UHFFFAOYSA-N
MW303.17 g/mol
LogP3.65
Rot. Bonds1

About 4-ethyl-6-iodo-1-benzothiophen-5-amine

4-ethyl-6-iodo-1-benzothiophen-5-amine (PubChem CID 130866246) has the molecular formula C10H10INS and a molecular weight of 303.17 g/mol. Its IUPAC name is 4-ethyl-6-iodo-1-benzothiophen-5-amine.

Molecular Properties

Compound Name4-ethyl-6-iodo-1-benzothiophen-5-amine
PubChem CID130866246
Molecular FormulaC10H10INS
Molecular Weight303.17 g/mol
Exact Mass302.96
IUPAC Name4-ethyl-6-iodo-1-benzothiophen-5-amine
SMILESCCc1c(N)c(I)cc2sccc12
InChIInChI=1S/C10H10INS/c1-2-6-7-3-4-13-9(7)5-8(11)10(6)12/h3-5H,2,12H2,1H3
InChIKeyNJRBYAWXUVJTAA-UHFFFAOYSA-N
XLogP3.65
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.17
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-ethyl-4-iodo-6-methyl-1-benzothiophene
CID 130827103
(4-amino-5-ethyl-1-benzothiophen-6-yl)methanol
CID 130971765
4-ethyl-5-iodo-6-methylsulfanyl-1-benzothiophene
CID 131123133
4-amino-6-iodo-1-benzothiophene-5-thiol
CID 130821173
6-(bromomethyl)-5-ethyl-4-iodo-1-benzothiophene
CID 130955965
4-(bromomethyl)-5-ethyl-6-methyl-1-benzothiophene
CID 130956540
5-bromo-6-chloro-4-ethyl-1-benzothiophene
CID 130885317
5,6-diiodo-4-methyl-1-benzothiophene
CID 130969316
4-ethyl-6-(hydroxymethyl)-1-benzothiophen-5-ol
CID 131196602
(5-ethyl-6-sulfanyl-1-benzothiophen-4-yl)methanol
CID 131001484
4-ethyl-5-methyl-1-benzothiophene-6-carbaldehyde
CID 130816876
4-ethyl-5-fluoro-1-benzothiophene
CID 130064581

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-6-iodo-1-benzothiophen-5-amine?
The IUPAC name of 4-ethyl-6-iodo-1-benzothiophen-5-amine (CID 130866246) is 4-ethyl-6-iodo-1-benzothiophen-5-amine.
What is the SMILES notation for 4-ethyl-6-iodo-1-benzothiophen-5-amine?
The canonical SMILES for 4-ethyl-6-iodo-1-benzothiophen-5-amine is CCc1c(N)c(I)cc2sccc12.
What is the InChIKey of 4-ethyl-6-iodo-1-benzothiophen-5-amine?
The InChIKey is NJRBYAWXUVJTAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10INS/c1-2-6-7-3-4-13-9(7)5-8(11)10(6)12/h3-5H,2,12H2,1H3.
What are the key properties of 4-ethyl-6-iodo-1-benzothiophen-5-amine?
4-ethyl-6-iodo-1-benzothiophen-5-amine has a molecular weight of 303.17 g/mol, XLogP of 3.65, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-6-iodo-1-benzothiophen-5-amine is sourced from PubChem (CID 130866246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).