6-iodo-3,4-dimethoxy-1-benzothiophene

C10H9IO2S — CID 131053482

IUPAC6-iodo-3,4-dimethoxy-1-benzothiophene
SMILESCOc1csc2cc(I)cc(OC)c12
InChIInChI=1S/C10H9IO2S/c1-12-7-3-6(11)4-9-10(7)8(13-2)5-14-9/h3-5H,1-2H3
InChIKeyKLYWFUCULFWBDM-UHFFFAOYSA-N
MW320.15 g/mol
LogP3.52
Rot. Bonds2

About 6-iodo-3,4-dimethoxy-1-benzothiophene

6-iodo-3,4-dimethoxy-1-benzothiophene (PubChem CID 131053482) has the molecular formula C10H9IO2S and a molecular weight of 320.15 g/mol. Its IUPAC name is 6-iodo-3,4-dimethoxy-1-benzothiophene.

Molecular Properties

Compound Name6-iodo-3,4-dimethoxy-1-benzothiophene
PubChem CID131053482
Molecular FormulaC10H9IO2S
Molecular Weight320.15 g/mol
Exact Mass319.94
IUPAC Name6-iodo-3,4-dimethoxy-1-benzothiophene
SMILESCOc1csc2cc(I)cc(OC)c12
InChIInChI=1S/C10H9IO2S/c1-12-7-3-6(11)4-9-10(7)8(13-2)5-14-9/h3-5H,1-2H3
InChIKeyKLYWFUCULFWBDM-UHFFFAOYSA-N
XLogP3.52
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.15
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-iodo-3-methoxy-6-methyl-1-benzothiophene
CID 130941722
(3-iodo-4-methoxy-1-benzothiophen-6-yl)methanol
CID 130985890
6-chloro-3-methoxy-1-benzothiophen-4-ol
CID 130970027
3,6-diiodo-4-methyl-1-benzothiophene
CID 130805281
4,6-diiodo-3-methyl-1-benzothiophene
CID 131218326
4-methoxy-3-methyl-1-benzothiophene-6-carboxylic acid
CID 131324180
4-iodo-3-methoxy-1-benzothiophene-5-carbaldehyde
CID 131123421
7-bromo-5-iodo-3-methoxy-1-benzothiophene
CID 130926576
3-chloro-6-fluoro-4-methoxy-1-benzothiophene
CID 130878457
2-ethyl-5-iodo-1,3-dimethoxybenzene
CID 118819025
3-methoxy-5-methyl-1-benzothiophene-4-carbonitrile
CID 131197251
5-(chloromethyl)-6-iodo-3-methoxy-1-benzothiophene
CID 131146490

Frequently Asked Questions

What is the IUPAC name of 6-iodo-3,4-dimethoxy-1-benzothiophene?
The IUPAC name of 6-iodo-3,4-dimethoxy-1-benzothiophene (CID 131053482) is 6-iodo-3,4-dimethoxy-1-benzothiophene.
What is the SMILES notation for 6-iodo-3,4-dimethoxy-1-benzothiophene?
The canonical SMILES for 6-iodo-3,4-dimethoxy-1-benzothiophene is COc1csc2cc(I)cc(OC)c12.
What is the InChIKey of 6-iodo-3,4-dimethoxy-1-benzothiophene?
The InChIKey is KLYWFUCULFWBDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9IO2S/c1-12-7-3-6(11)4-9-10(7)8(13-2)5-14-9/h3-5H,1-2H3.
What are the key properties of 6-iodo-3,4-dimethoxy-1-benzothiophene?
6-iodo-3,4-dimethoxy-1-benzothiophene has a molecular weight of 320.15 g/mol, XLogP of 3.52, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-iodo-3,4-dimethoxy-1-benzothiophene is sourced from PubChem (CID 131053482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).