iodozinc(1+);methylsulfanylbenzene

C7H7ISZn — CID 24722603

IUPACiodozinc(1+);methylsulfanylbenzene
SMILESCSc1cc[c-]cc1.[Zn+]I
InChIInChI=1S/C7H7S.HI.Zn/c1-8-7-5-3-2-4-6-7;;/h3-6H,1H3;1H;/q-1;;+2/p-1
InChIKeyBSLXURHFHNFSCY-UHFFFAOYSA-M
MW315.49 g/mol
LogP3.09
Rot. Bonds1

About iodozinc(1+);methylsulfanylbenzene

iodozinc(1+);methylsulfanylbenzene (PubChem CID 24722603) has the molecular formula C7H7ISZn and a molecular weight of 315.49 g/mol. Its IUPAC name is iodozinc(1+);methylsulfanylbenzene.

Molecular Properties

Compound Nameiodozinc(1+);methylsulfanylbenzene
PubChem CID24722603
Molecular FormulaC7H7ISZn
Molecular Weight315.49 g/mol
Exact Mass313.86
IUPAC Nameiodozinc(1+);methylsulfanylbenzene
SMILESCSc1cc[c-]cc1.[Zn+]I
InChIInChI=1S/C7H7S.HI.Zn/c1-8-7-5-3-2-4-6-7;;/h3-6H,1H3;1H;/q-1;;+2/p-1
InChIKeyBSLXURHFHNFSCY-UHFFFAOYSA-M
XLogP3.09
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.49
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze iodozinc(1+);methylsulfanylbenzene 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 iodozinc(1+);methylsulfanylbenzene?
The IUPAC name of iodozinc(1+);methylsulfanylbenzene (CID 24722603) is iodozinc(1+);methylsulfanylbenzene.
What is the SMILES notation for iodozinc(1+);methylsulfanylbenzene?
The canonical SMILES for iodozinc(1+);methylsulfanylbenzene is CSc1cc[c-]cc1.[Zn+]I.
What is the InChIKey of iodozinc(1+);methylsulfanylbenzene?
The InChIKey is BSLXURHFHNFSCY-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H7S.HI.Zn/c1-8-7-5-3-2-4-6-7;;/h3-6H,1H3;1H;/q-1;;+2/p-1.
What are the key properties of iodozinc(1+);methylsulfanylbenzene?
iodozinc(1+);methylsulfanylbenzene has a molecular weight of 315.49 g/mol, XLogP of 3.09, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for iodozinc(1+);methylsulfanylbenzene is sourced from PubChem (CID 24722603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).