7-ethoxy-6-iodo-5-methyl-1-benzothiophene

C11H11IOS — CID 131002181

IUPAC7-ethoxy-6-iodo-5-methyl-1-benzothiophene
SMILESCCOc1c(I)c(C)cc2ccsc12
InChIInChI=1S/C11H11IOS/c1-3-13-10-9(12)7(2)6-8-4-5-14-11(8)10/h4-6H,3H2,1-2H3
InChIKeyFSBKWZMSVMGETB-UHFFFAOYSA-N
MW318.18 g/mol
LogP4.21
Rot. Bonds2

About 7-ethoxy-6-iodo-5-methyl-1-benzothiophene

7-ethoxy-6-iodo-5-methyl-1-benzothiophene (PubChem CID 131002181) has the molecular formula C11H11IOS and a molecular weight of 318.18 g/mol. Its IUPAC name is 7-ethoxy-6-iodo-5-methyl-1-benzothiophene.

Molecular Properties

Compound Name7-ethoxy-6-iodo-5-methyl-1-benzothiophene
PubChem CID131002181
Molecular FormulaC11H11IOS
Molecular Weight318.18 g/mol
Exact Mass317.96
IUPAC Name7-ethoxy-6-iodo-5-methyl-1-benzothiophene
SMILESCCOc1c(I)c(C)cc2ccsc12
InChIInChI=1S/C11H11IOS/c1-3-13-10-9(12)7(2)6-8-4-5-14-11(8)10/h4-6H,3H2,1-2H3
InChIKeyFSBKWZMSVMGETB-UHFFFAOYSA-N
XLogP4.21
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.18
LogP ≤ 54.21
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

7-ethoxy-6-methyl-1-benzothiophen-5-amine
CID 130898368
5-bromo-7-ethoxy-1-benzothiophene-6-thiol
CID 131014234
5-ethoxy-7-iodo-1-benzothiophene-6-thiol
CID 130988096
5-(chloromethyl)-7-iodo-6-methyl-1-benzothiophene
CID 131002195
5-ethoxy-4,6-dimethyl-1-benzothiophene
CID 130955667
4,7-diiodo-5-methyl-1-benzothiophene
CID 130805284
6-ethyl-5-methyl-1-benzothiophene-7-carbaldehyde
CID 130961943
4-chloro-7-ethoxy-5-methyl-1-benzothiophene
CID 130941817
7-(difluoromethyl)-4-iodo-5-methyl-1-benzothiophene
CID 131215693
7-ethoxy-1-benzothiophene
CID 68789103
4,19-dimethyl-8,15-dithiapentacyclo[11.7.0.02,10.05,9.014,18]icosa-1(13),2(10),3,5(9),6,11,14(18),16,19-nonaene
CID 122606200
2-ethoxy-5-methoxy-1,3-dimethylbenzene
CID 130882299

Frequently Asked Questions

What is the IUPAC name of 7-ethoxy-6-iodo-5-methyl-1-benzothiophene?
The IUPAC name of 7-ethoxy-6-iodo-5-methyl-1-benzothiophene (CID 131002181) is 7-ethoxy-6-iodo-5-methyl-1-benzothiophene.
What is the SMILES notation for 7-ethoxy-6-iodo-5-methyl-1-benzothiophene?
The canonical SMILES for 7-ethoxy-6-iodo-5-methyl-1-benzothiophene is CCOc1c(I)c(C)cc2ccsc12.
What is the InChIKey of 7-ethoxy-6-iodo-5-methyl-1-benzothiophene?
The InChIKey is FSBKWZMSVMGETB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11IOS/c1-3-13-10-9(12)7(2)6-8-4-5-14-11(8)10/h4-6H,3H2,1-2H3.
What are the key properties of 7-ethoxy-6-iodo-5-methyl-1-benzothiophene?
7-ethoxy-6-iodo-5-methyl-1-benzothiophene has a molecular weight of 318.18 g/mol, XLogP of 4.21, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethoxy-6-iodo-5-methyl-1-benzothiophene is sourced from PubChem (CID 131002181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).