2-chloro-5-iodo-6-methyl-1-benzothiophene

C9H6ClIS — CID 130839105

IUPAC2-chloro-5-iodo-6-methyl-1-benzothiophene
SMILESCc1cc2sc(Cl)cc2cc1I
InChIInChI=1S/C9H6ClIS/c1-5-2-8-6(3-7(5)11)4-9(10)12-8/h2-4H,1H3
InChIKeyUXOCKIHXIMCHKZ-UHFFFAOYSA-N
MW308.57 g/mol
LogP4.47
Rot. Bonds

About 2-chloro-5-iodo-6-methyl-1-benzothiophene

2-chloro-5-iodo-6-methyl-1-benzothiophene (PubChem CID 130839105) has the molecular formula C9H6ClIS and a molecular weight of 308.57 g/mol. Its IUPAC name is 2-chloro-5-iodo-6-methyl-1-benzothiophene.

Molecular Properties

Compound Name2-chloro-5-iodo-6-methyl-1-benzothiophene
PubChem CID130839105
Molecular FormulaC9H6ClIS
Molecular Weight308.57 g/mol
Exact Mass307.89
IUPAC Name2-chloro-5-iodo-6-methyl-1-benzothiophene
SMILESCc1cc2sc(Cl)cc2cc1I
InChIInChI=1S/C9H6ClIS/c1-5-2-8-6(3-7(5)11)4-9(10)12-8/h2-4H,1H3
InChIKeyUXOCKIHXIMCHKZ-UHFFFAOYSA-N
XLogP4.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.57
LogP ≤ 54.47
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 2-chloro-5-iodo-6-methyl-1-benzothiophene?
The IUPAC name of 2-chloro-5-iodo-6-methyl-1-benzothiophene (CID 130839105) is 2-chloro-5-iodo-6-methyl-1-benzothiophene.
What is the SMILES notation for 2-chloro-5-iodo-6-methyl-1-benzothiophene?
The canonical SMILES for 2-chloro-5-iodo-6-methyl-1-benzothiophene is Cc1cc2sc(Cl)cc2cc1I.
What is the InChIKey of 2-chloro-5-iodo-6-methyl-1-benzothiophene?
The InChIKey is UXOCKIHXIMCHKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6ClIS/c1-5-2-8-6(3-7(5)11)4-9(10)12-8/h2-4H,1H3.
What are the key properties of 2-chloro-5-iodo-6-methyl-1-benzothiophene?
2-chloro-5-iodo-6-methyl-1-benzothiophene has a molecular weight of 308.57 g/mol, XLogP of 4.47, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-iodo-6-methyl-1-benzothiophene is sourced from PubChem (CID 130839105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).