2-iodo-6-methyl-4-methylsulfanyl-1-benzothiophene

C10H9IS2 — CID 131002405

IUPAC2-iodo-6-methyl-4-methylsulfanyl-1-benzothiophene
SMILESCSc1cc(C)cc2sc(I)cc12
InChIInChI=1S/C10H9IS2/c1-6-3-8(12-2)7-5-10(11)13-9(7)4-6/h3-5H,1-2H3
InChIKeyBWVHAHOQPQJKCP-UHFFFAOYSA-N
MW320.22 g/mol
LogP4.54
Rot. Bonds1

About 2-iodo-6-methyl-4-methylsulfanyl-1-benzothiophene

2-iodo-6-methyl-4-methylsulfanyl-1-benzothiophene (PubChem CID 131002405) has the molecular formula C10H9IS2 and a molecular weight of 320.22 g/mol. Its IUPAC name is 2-iodo-6-methyl-4-methylsulfanyl-1-benzothiophene.

Molecular Properties

Compound Name2-iodo-6-methyl-4-methylsulfanyl-1-benzothiophene
PubChem CID131002405
Molecular FormulaC10H9IS2
Molecular Weight320.22 g/mol
Exact Mass319.92
IUPAC Name2-iodo-6-methyl-4-methylsulfanyl-1-benzothiophene
SMILESCSc1cc(C)cc2sc(I)cc12
InChIInChI=1S/C10H9IS2/c1-6-3-8(12-2)7-5-10(11)13-9(7)4-6/h3-5H,1-2H3
InChIKeyBWVHAHOQPQJKCP-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'}

Analyze 2-iodo-6-methyl-4-methylsulfanyl-1-benzothiophene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-iodo-6-methyl-4-methylsulfanyl-1-benzothiophene?
The IUPAC name of 2-iodo-6-methyl-4-methylsulfanyl-1-benzothiophene (CID 131002405) is 2-iodo-6-methyl-4-methylsulfanyl-1-benzothiophene.
What is the SMILES notation for 2-iodo-6-methyl-4-methylsulfanyl-1-benzothiophene?
The canonical SMILES for 2-iodo-6-methyl-4-methylsulfanyl-1-benzothiophene is CSc1cc(C)cc2sc(I)cc12.
What is the InChIKey of 2-iodo-6-methyl-4-methylsulfanyl-1-benzothiophene?
The InChIKey is BWVHAHOQPQJKCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9IS2/c1-6-3-8(12-2)7-5-10(11)13-9(7)4-6/h3-5H,1-2H3.
What are the key properties of 2-iodo-6-methyl-4-methylsulfanyl-1-benzothiophene?
2-iodo-6-methyl-4-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 2-iodo-6-methyl-4-methylsulfanyl-1-benzothiophene is sourced from PubChem (CID 131002405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).