7-iodo-2-methyl-1-benzothiophene

C9H7IS — CID 91103252

IUPAC7-iodo-2-methyl-1-benzothiophene
SMILESCc1cc2cccc(I)c2s1
InChIInChI=1S/C9H7IS/c1-6-5-7-3-2-4-8(10)9(7)11-6/h2-5H,1H3
InChIKeyRRKBKJWCFBLZBZ-UHFFFAOYSA-N
MW274.13 g/mol
LogP3.81
Rot. Bonds

About 7-iodo-2-methyl-1-benzothiophene

7-iodo-2-methyl-1-benzothiophene (PubChem CID 91103252) has the molecular formula C9H7IS and a molecular weight of 274.13 g/mol. Its IUPAC name is 7-iodo-2-methyl-1-benzothiophene.

Molecular Properties

Compound Name7-iodo-2-methyl-1-benzothiophene
PubChem CID91103252
Molecular FormulaC9H7IS
Molecular Weight274.13 g/mol
Exact Mass273.93
IUPAC Name7-iodo-2-methyl-1-benzothiophene
SMILESCc1cc2cccc(I)c2s1
InChIInChI=1S/C9H7IS/c1-6-5-7-3-2-4-8(10)9(7)11-6/h2-5H,1H3
InChIKeyRRKBKJWCFBLZBZ-UHFFFAOYSA-N
XLogP3.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.13
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-iodo-2-methyl-1-benzothiophene?
The IUPAC name of 7-iodo-2-methyl-1-benzothiophene (CID 91103252) is 7-iodo-2-methyl-1-benzothiophene.
What is the SMILES notation for 7-iodo-2-methyl-1-benzothiophene?
The canonical SMILES for 7-iodo-2-methyl-1-benzothiophene is Cc1cc2cccc(I)c2s1.
What is the InChIKey of 7-iodo-2-methyl-1-benzothiophene?
The InChIKey is RRKBKJWCFBLZBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7IS/c1-6-5-7-3-2-4-8(10)9(7)11-6/h2-5H,1H3.
What are the key properties of 7-iodo-2-methyl-1-benzothiophene?
7-iodo-2-methyl-1-benzothiophene has a molecular weight of 274.13 g/mol, XLogP of 3.81, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-iodo-2-methyl-1-benzothiophene is sourced from PubChem (CID 91103252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).