7-iodo-6-methyl-2-methylsulfanyl-1-benzothiophene

C10H9IS2 — CID 130821607

IUPAC7-iodo-6-methyl-2-methylsulfanyl-1-benzothiophene
SMILESCSc1cc2ccc(C)c(I)c2s1
InChIInChI=1S/C10H9IS2/c1-6-3-4-7-5-8(12-2)13-10(7)9(6)11/h3-5H,1-2H3
InChIKeyNNOAWAHBIZHRAV-UHFFFAOYSA-N
MW320.22 g/mol
LogP4.54
Rot. Bonds1

About 7-iodo-6-methyl-2-methylsulfanyl-1-benzothiophene

7-iodo-6-methyl-2-methylsulfanyl-1-benzothiophene (PubChem CID 130821607) has the molecular formula C10H9IS2 and a molecular weight of 320.22 g/mol. Its IUPAC name is 7-iodo-6-methyl-2-methylsulfanyl-1-benzothiophene.

Molecular Properties

Compound Name7-iodo-6-methyl-2-methylsulfanyl-1-benzothiophene
PubChem CID130821607
Molecular FormulaC10H9IS2
Molecular Weight320.22 g/mol
Exact Mass319.92
IUPAC Name7-iodo-6-methyl-2-methylsulfanyl-1-benzothiophene
SMILESCSc1cc2ccc(C)c(I)c2s1
InChIInChI=1S/C10H9IS2/c1-6-3-4-7-5-8(12-2)13-10(7)9(6)11/h3-5H,1-2H3
InChIKeyNNOAWAHBIZHRAV-UHFFFAOYSA-N
XLogP4.54
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.22
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-6-methyl-2-methylsulfanyl-1-benzothiophene?
The IUPAC name of 7-iodo-6-methyl-2-methylsulfanyl-1-benzothiophene (CID 130821607) is 7-iodo-6-methyl-2-methylsulfanyl-1-benzothiophene.
What is the SMILES notation for 7-iodo-6-methyl-2-methylsulfanyl-1-benzothiophene?
The canonical SMILES for 7-iodo-6-methyl-2-methylsulfanyl-1-benzothiophene is CSc1cc2ccc(C)c(I)c2s1.
What is the InChIKey of 7-iodo-6-methyl-2-methylsulfanyl-1-benzothiophene?
The InChIKey is NNOAWAHBIZHRAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9IS2/c1-6-3-4-7-5-8(12-2)13-10(7)9(6)11/h3-5H,1-2H3.
What are the key properties of 7-iodo-6-methyl-2-methylsulfanyl-1-benzothiophene?
7-iodo-6-methyl-2-methylsulfanyl-1-benzothiophene has a molecular weight of 320.22 g/mol, XLogP of 4.54, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-iodo-6-methyl-2-methylsulfanyl-1-benzothiophene is sourced from PubChem (CID 130821607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).