7-ethyl-3-iodo-1-benzothiophen-6-amine

C10H10INS — CID 130839819

IUPAC7-ethyl-3-iodo-1-benzothiophen-6-amine
SMILESCCc1c(N)ccc2c(I)csc12
InChIInChI=1S/C10H10INS/c1-2-6-9(12)4-3-7-8(11)5-13-10(6)7/h3-5H,2,12H2,1H3
InChIKeyVOEGCNMDKQWPNA-UHFFFAOYSA-N
MW303.17 g/mol
LogP3.65
Rot. Bonds1

About 7-ethyl-3-iodo-1-benzothiophen-6-amine

7-ethyl-3-iodo-1-benzothiophen-6-amine (PubChem CID 130839819) has the molecular formula C10H10INS and a molecular weight of 303.17 g/mol. Its IUPAC name is 7-ethyl-3-iodo-1-benzothiophen-6-amine.

Molecular Properties

Compound Name7-ethyl-3-iodo-1-benzothiophen-6-amine
PubChem CID130839819
Molecular FormulaC10H10INS
Molecular Weight303.17 g/mol
Exact Mass302.96
IUPAC Name7-ethyl-3-iodo-1-benzothiophen-6-amine
SMILESCCc1c(N)ccc2c(I)csc12
InChIInChI=1S/C10H10INS/c1-2-6-9(12)4-3-7-8(11)5-13-10(6)7/h3-5H,2,12H2,1H3
InChIKeyVOEGCNMDKQWPNA-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

7-ethyl-3-methylsulfanyl-1-benzothiophen-6-amine
CID 130865946
7-ethyl-6-iodo-3-methylsulfanyl-1-benzothiophene
CID 130854627
(6-amino-3-fluoro-1-benzothiophen-7-yl)methanol
CID 130788571
5,7-diethyl-3-iodo-1-benzothiophene
CID 131076013
6-bromo-3-iodo-7-methoxy-1-benzothiophene
CID 130805844
7-ethyl-4-iodo-6-methylsulfanyl-1-benzothiophene
CID 131196112
7-fluoro-3-iodo-6-methoxy-1-benzothiophene
CID 130792106
6-(bromomethyl)-7-chloro-3-iodo-1-benzothiophene
CID 131053609
6-amino-7-ethyl-1-benzothiophene-4-carbaldehyde
CID 130898262
3-chloro-6-(chloromethyl)-7-ethyl-1-benzothiophene
CID 130985190
4-ethyl-6-iodo-1-benzothiophen-5-amine
CID 130866246
(7-ethyl-6-methyl-1-benzothiophen-3-yl)methanol
CID 131196624

Frequently Asked Questions

What is the IUPAC name of 7-ethyl-3-iodo-1-benzothiophen-6-amine?
The IUPAC name of 7-ethyl-3-iodo-1-benzothiophen-6-amine (CID 130839819) is 7-ethyl-3-iodo-1-benzothiophen-6-amine.
What is the SMILES notation for 7-ethyl-3-iodo-1-benzothiophen-6-amine?
The canonical SMILES for 7-ethyl-3-iodo-1-benzothiophen-6-amine is CCc1c(N)ccc2c(I)csc12.
What is the InChIKey of 7-ethyl-3-iodo-1-benzothiophen-6-amine?
The InChIKey is VOEGCNMDKQWPNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10INS/c1-2-6-9(12)4-3-7-8(11)5-13-10(6)7/h3-5H,2,12H2,1H3.
What are the key properties of 7-ethyl-3-iodo-1-benzothiophen-6-amine?
7-ethyl-3-iodo-1-benzothiophen-6-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 7-ethyl-3-iodo-1-benzothiophen-6-amine is sourced from PubChem (CID 130839819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).