2-ethoxy-3-iodo-1-benzothiophen-6-amine

C10H10INOS — CID 131031203

IUPAC2-ethoxy-3-iodo-1-benzothiophen-6-amine
SMILESCCOc1sc2cc(N)ccc2c1I
InChIInChI=1S/C10H10INOS/c1-2-13-10-9(11)7-4-3-6(12)5-8(7)14-10/h3-5H,2,12H2,1H3
InChIKeyCBJGZXQEIJBEQF-UHFFFAOYSA-N
MW319.17 g/mol
LogP3.49
Rot. Bonds2

About 2-ethoxy-3-iodo-1-benzothiophen-6-amine

2-ethoxy-3-iodo-1-benzothiophen-6-amine (PubChem CID 131031203) has the molecular formula C10H10INOS and a molecular weight of 319.17 g/mol. Its IUPAC name is 2-ethoxy-3-iodo-1-benzothiophen-6-amine.

Molecular Properties

Compound Name2-ethoxy-3-iodo-1-benzothiophen-6-amine
PubChem CID131031203
Molecular FormulaC10H10INOS
Molecular Weight319.17 g/mol
Exact Mass318.95
IUPAC Name2-ethoxy-3-iodo-1-benzothiophen-6-amine
SMILESCCOc1sc2cc(N)ccc2c1I
InChIInChI=1S/C10H10INOS/c1-2-13-10-9(11)7-4-3-6(12)5-8(7)14-10/h3-5H,2,12H2,1H3
InChIKeyCBJGZXQEIJBEQF-UHFFFAOYSA-N
XLogP3.49
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.17
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-ethoxy-3,6-difluoro-1-benzothiophene
CID 130870288
ethyl 7-aminodibenzothiophene-3-carboxylate
CID 13065121
6-bromo-3-ethoxy-1-benzothiophen-2-amine
CID 131075965
dibenzothiophene-2,3,7-triamine
CID 166974357
6-amino-3-ethyl-1-benzothiophene-2-carbonitrile
CID 130914383
4-amino-2-ethoxyphenol
CID 12856010
6-bromo-3-ethoxy-1-benzothiophene-2-thiol
CID 131098357
4-bromo-3-ethoxyaniline
CID 7015503
2-bromo-3-methylsulfanyl-1-benzothiophen-6-amine
CID 131080327
2-(chloromethyl)-3-iodo-1-benzothiophen-5-amine
CID 131190885
3-chloro-2-methylsulfanyl-1-benzothiophen-6-amine
CID 131080286
6-amino-3-bromo-1-benzothiophen-2-ol
CID 130854983

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-3-iodo-1-benzothiophen-6-amine?
The IUPAC name of 2-ethoxy-3-iodo-1-benzothiophen-6-amine (CID 131031203) is 2-ethoxy-3-iodo-1-benzothiophen-6-amine.
What is the SMILES notation for 2-ethoxy-3-iodo-1-benzothiophen-6-amine?
The canonical SMILES for 2-ethoxy-3-iodo-1-benzothiophen-6-amine is CCOc1sc2cc(N)ccc2c1I.
What is the InChIKey of 2-ethoxy-3-iodo-1-benzothiophen-6-amine?
The InChIKey is CBJGZXQEIJBEQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10INOS/c1-2-13-10-9(11)7-4-3-6(12)5-8(7)14-10/h3-5H,2,12H2,1H3.
What are the key properties of 2-ethoxy-3-iodo-1-benzothiophen-6-amine?
2-ethoxy-3-iodo-1-benzothiophen-6-amine has a molecular weight of 319.17 g/mol, XLogP of 3.49, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-3-iodo-1-benzothiophen-6-amine is sourced from PubChem (CID 131031203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).