5,7-dichloro-4-iodo-1-benzothiophen-3-ol

C8H3Cl2IOS — CID 91350563

IUPAC5,7-dichloro-4-iodo-1-benzothiophen-3-ol
SMILESOc1csc2c(Cl)cc(Cl)c(I)c12
InChIInChI=1S/C8H3Cl2IOS/c9-3-1-4(10)8-6(7(3)11)5(12)2-13-8/h1-2,12H
InChIKeyJRSNGKCTZIXEKM-UHFFFAOYSA-N
MW344.99 g/mol
LogP4.52
Rot. Bonds

About 5,7-dichloro-4-iodo-1-benzothiophen-3-ol

5,7-dichloro-4-iodo-1-benzothiophen-3-ol (PubChem CID 91350563) has the molecular formula C8H3Cl2IOS and a molecular weight of 344.99 g/mol. Its IUPAC name is 5,7-dichloro-4-iodo-1-benzothiophen-3-ol.

Molecular Properties

Compound Name5,7-dichloro-4-iodo-1-benzothiophen-3-ol
PubChem CID91350563
Molecular FormulaC8H3Cl2IOS
Molecular Weight344.99 g/mol
Exact Mass343.83
IUPAC Name5,7-dichloro-4-iodo-1-benzothiophen-3-ol
SMILESOc1csc2c(Cl)cc(Cl)c(I)c12
InChIInChI=1S/C8H3Cl2IOS/c9-3-1-4(10)8-6(7(3)11)5(12)2-13-8/h1-2,12H
InChIKeyJRSNGKCTZIXEKM-UHFFFAOYSA-N
XLogP4.52
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.99
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiophene_hydroxy(28)', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

5,7-dichloro-4-methyl-1-benzothiophen-3-ol
CID 20574805
6-chloro-7-sulfanyl-1-benzothiophen-3-ol
CID 130793067
5,7-dimethyl-1-benzothiophene-3,4-diol
CID 130033071
(7-chloro-3-iodo-1-benzothiophen-5-yl)methanol
CID 131053982
5-fluoro-4-iodo-1-benzothiophen-3-ol
CID 131057300
7-bromo-5-iodo-1-benzothiophen-3-ol
CID 130866058
7-ethyl-4-methylsulfanyl-1-benzothiophen-3-ol
CID 131223384
4-ethyl-3-hydroxy-1-benzothiophene-7-carbaldehyde
CID 130942152
4-(chloromethyl)-3-hydroxy-1-benzothiophene-7-carbaldehyde
CID 131146675
6-(hydroxymethyl)-7-iodo-1-benzothiophen-3-ol
CID 130961297
7-(hydroxymethyl)-1-benzothiophene-3,4-diol
CID 130803250
3-chloro-7-iodo-4-methylsulfanyl-1-benzothiophene
CID 131034332

Frequently Asked Questions

What is the IUPAC name of 5,7-dichloro-4-iodo-1-benzothiophen-3-ol?
The IUPAC name of 5,7-dichloro-4-iodo-1-benzothiophen-3-ol (CID 91350563) is 5,7-dichloro-4-iodo-1-benzothiophen-3-ol.
What is the SMILES notation for 5,7-dichloro-4-iodo-1-benzothiophen-3-ol?
The canonical SMILES for 5,7-dichloro-4-iodo-1-benzothiophen-3-ol is Oc1csc2c(Cl)cc(Cl)c(I)c12.
What is the InChIKey of 5,7-dichloro-4-iodo-1-benzothiophen-3-ol?
The InChIKey is JRSNGKCTZIXEKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3Cl2IOS/c9-3-1-4(10)8-6(7(3)11)5(12)2-13-8/h1-2,12H.
What are the key properties of 5,7-dichloro-4-iodo-1-benzothiophen-3-ol?
5,7-dichloro-4-iodo-1-benzothiophen-3-ol has a molecular weight of 344.99 g/mol, XLogP of 4.52, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dichloro-4-iodo-1-benzothiophen-3-ol is sourced from PubChem (CID 91350563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).