(4-methylthiophen-2-yl)iodanium

C5H6IS+ — CID 170762974

IUPAC(4-methylthiophen-2-yl)iodanium
SMILESCc1csc([IH+])c1
InChIInChI=1S/C5H6IS/c1-4-2-5(6)7-3-4/h2-3,6H,1H3/q+1
InChIKeyLOFZPGHSJXZZHB-UHFFFAOYSA-N
MW225.07 g/mol
LogP-1.49
Rot. Bonds

About (4-methylthiophen-2-yl)iodanium

(4-methylthiophen-2-yl)iodanium (PubChem CID 170762974) has the molecular formula C5H6IS+ and a molecular weight of 225.07 g/mol. Its IUPAC name is (4-methylthiophen-2-yl)iodanium.

Molecular Properties

Compound Name(4-methylthiophen-2-yl)iodanium
PubChem CID170762974
Molecular FormulaC5H6IS+
Molecular Weight225.07 g/mol
Exact Mass224.92
IUPAC Name(4-methylthiophen-2-yl)iodanium
SMILESCc1csc([IH+])c1
InChIInChI=1S/C5H6IS/c1-4-2-5(6)7-3-4/h2-3,6H,1H3/q+1
InChIKeyLOFZPGHSJXZZHB-UHFFFAOYSA-N
XLogP-1.49
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.07
LogP ≤ 5-1.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2,4-dimethylthiophene;vanadium
CID 143324996
ethane;2-fluoro-4-methylthiophene
CID 155692826
2-(4-methylthiophen-2-yl)-5-[5-[5-[5-(4-methylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophene
CID 11752772
ethane;2-ethyl-4-methylthiophene
CID 144673037
2,5-bis(4-methylthiophen-2-yl)thiophene
CID 11097816
4-methyl-2-(thiiran-2-yl)thiophene
CID 175589959
(1S)-2-methyl-1-(4-methylthiophen-2-yl)propan-1-amine
CID 55293617
2-(3-chlorophenyl)-4-methylthiophene
CID 173145539
2-chloro-5-(4-methylthiophen-2-yl)-1,3,4-oxadiazole
CID 130778751
(4-methylthiophene-2-carbonyl) 4-methylthiophene-2-carboperoxoate
CID 24974935
4-methyl-2-(2,2,2-trifluoroethyl)thiophene
CID 118566601
(4-methylthiophen-2-yl)-[2,3,4-tris(4-methylthiophene-2-carbonyl)cyclobutyl]methanone
CID 101434742

Frequently Asked Questions

What is the IUPAC name of (4-methylthiophen-2-yl)iodanium?
The IUPAC name of (4-methylthiophen-2-yl)iodanium (CID 170762974) is (4-methylthiophen-2-yl)iodanium.
What is the SMILES notation for (4-methylthiophen-2-yl)iodanium?
The canonical SMILES for (4-methylthiophen-2-yl)iodanium is Cc1csc([IH+])c1.
What is the InChIKey of (4-methylthiophen-2-yl)iodanium?
The InChIKey is LOFZPGHSJXZZHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6IS/c1-4-2-5(6)7-3-4/h2-3,6H,1H3/q+1.
What are the key properties of (4-methylthiophen-2-yl)iodanium?
(4-methylthiophen-2-yl)iodanium has a molecular weight of 225.07 g/mol, XLogP of -1.49, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylthiophen-2-yl)iodanium is sourced from PubChem (CID 170762974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).