1-iodo-2-methylsulfinylbenzene

C7H7IOS — CID 53256675

IUPAC1-iodo-2-methylsulfinylbenzene
SMILESCS(=O)c1ccccc1I
InChIInChI=1S/C7H7IOS/c1-10(9)7-5-3-2-4-6(7)8/h2-5H,1H3
InChIKeyWFZJBRKQMWCHCA-UHFFFAOYSA-N
MW266.10 g/mol
LogP2.03
Rot. Bonds1

About 1-iodo-2-methylsulfinylbenzene

1-iodo-2-methylsulfinylbenzene (PubChem CID 53256675) has the molecular formula C7H7IOS and a molecular weight of 266.10 g/mol. Its IUPAC name is 1-iodo-2-methylsulfinylbenzene.

Molecular Properties

Compound Name1-iodo-2-methylsulfinylbenzene
PubChem CID53256675
Molecular FormulaC7H7IOS
Molecular Weight266.10 g/mol
Exact Mass265.93
IUPAC Name1-iodo-2-methylsulfinylbenzene
SMILESCS(=O)c1ccccc1I
InChIInChI=1S/C7H7IOS/c1-10(9)7-5-3-2-4-6(7)8/h2-5H,1H3
InChIKeyWFZJBRKQMWCHCA-UHFFFAOYSA-N
XLogP2.03
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.10
LogP ≤ 52.03
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 1-iodo-2-methylsulfinylbenzene?
The IUPAC name of 1-iodo-2-methylsulfinylbenzene (CID 53256675) is 1-iodo-2-methylsulfinylbenzene.
What is the SMILES notation for 1-iodo-2-methylsulfinylbenzene?
The canonical SMILES for 1-iodo-2-methylsulfinylbenzene is CS(=O)c1ccccc1I.
What is the InChIKey of 1-iodo-2-methylsulfinylbenzene?
The InChIKey is WFZJBRKQMWCHCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7IOS/c1-10(9)7-5-3-2-4-6(7)8/h2-5H,1H3.
What are the key properties of 1-iodo-2-methylsulfinylbenzene?
1-iodo-2-methylsulfinylbenzene has a molecular weight of 266.10 g/mol, XLogP of 2.03, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-iodo-2-methylsulfinylbenzene is sourced from PubChem (CID 53256675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).