5-chloro-3-ethoxy-6-iodo-1-benzothiophene

C10H8ClIOS — CID 130866122

IUPAC5-chloro-3-ethoxy-6-iodo-1-benzothiophene
SMILESCCOc1csc2cc(I)c(Cl)cc12
InChIInChI=1S/C10H8ClIOS/c1-2-13-9-5-14-10-4-8(12)7(11)3-6(9)10/h3-5H,2H2,1H3
InChIKeyHJXUZYFOYNFSMF-UHFFFAOYSA-N
MW338.60 g/mol
LogP4.56
Rot. Bonds2

About 5-chloro-3-ethoxy-6-iodo-1-benzothiophene

5-chloro-3-ethoxy-6-iodo-1-benzothiophene (PubChem CID 130866122) has the molecular formula C10H8ClIOS and a molecular weight of 338.60 g/mol. Its IUPAC name is 5-chloro-3-ethoxy-6-iodo-1-benzothiophene.

Molecular Properties

Compound Name5-chloro-3-ethoxy-6-iodo-1-benzothiophene
PubChem CID130866122
Molecular FormulaC10H8ClIOS
Molecular Weight338.60 g/mol
Exact Mass337.90
IUPAC Name5-chloro-3-ethoxy-6-iodo-1-benzothiophene
SMILESCCOc1csc2cc(I)c(Cl)cc12
InChIInChI=1S/C10H8ClIOS/c1-2-13-9-5-14-10-4-8(12)7(11)3-6(9)10/h3-5H,2H2,1H3
InChIKeyHJXUZYFOYNFSMF-UHFFFAOYSA-N
XLogP4.56
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.60
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-ethoxy-5-iodo-1-benzothiophen-6-ol
CID 130985683
5-chloro-3-ethoxy-1-benzothiophene
CID 119095235
7-chloro-3-ethoxy-5-methyl-1-benzothiophene
CID 130803883
5-(chloromethyl)-6-iodo-3-methoxy-1-benzothiophene
CID 131146490
3-ethoxy-6-nitro-1-benzothiophene
CID 119081992
3-ethoxy-5-nitro-1-benzothiophene
CID 119081996
2-chloro-4-ethoxy-5-iodobenzonitrile
CID 135397192
4,5-dichloro-2-ethoxy-N-methylaniline
CID 82553897
(2-chloro-4,5-diethoxyphenyl)-(3-chlorothiophen-2-yl)methanol
CID 80644143
6-bromo-3-ethoxy-7-iodo-1-benzothiophene
CID 130785792
6-chloro-5-iodo-1-benzothiophene-3-carbaldehyde
CID 130914419
1,4-dichloro-2-ethoxy-5-methylbenzene
CID 18335146

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-ethoxy-6-iodo-1-benzothiophene?
The IUPAC name of 5-chloro-3-ethoxy-6-iodo-1-benzothiophene (CID 130866122) is 5-chloro-3-ethoxy-6-iodo-1-benzothiophene.
What is the SMILES notation for 5-chloro-3-ethoxy-6-iodo-1-benzothiophene?
The canonical SMILES for 5-chloro-3-ethoxy-6-iodo-1-benzothiophene is CCOc1csc2cc(I)c(Cl)cc12.
What is the InChIKey of 5-chloro-3-ethoxy-6-iodo-1-benzothiophene?
The InChIKey is HJXUZYFOYNFSMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClIOS/c1-2-13-9-5-14-10-4-8(12)7(11)3-6(9)10/h3-5H,2H2,1H3.
What are the key properties of 5-chloro-3-ethoxy-6-iodo-1-benzothiophene?
5-chloro-3-ethoxy-6-iodo-1-benzothiophene has a molecular weight of 338.60 g/mol, XLogP of 4.56, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-ethoxy-6-iodo-1-benzothiophene is sourced from PubChem (CID 130866122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).