(3-aminophenyl)methanesulfinyl iodide

C7H8INOS — CID 130291794

IUPAC(3-aminophenyl)methanesulfinyl iodide
SMILESNc1cccc(CS(=O)I)c1
InChIInChI=1S/C7H8INOS/c8-11(10)5-6-2-1-3-7(9)4-6/h1-4H,5,9H2
InChIKeyDFVFBTFGYQEGHI-UHFFFAOYSA-N
MW281.12 g/mol
LogP1.87
Rot. Bonds2

About (3-aminophenyl)methanesulfinyl iodide

(3-aminophenyl)methanesulfinyl iodide (PubChem CID 130291794) has the molecular formula C7H8INOS and a molecular weight of 281.12 g/mol. Its IUPAC name is (3-aminophenyl)methanesulfinyl iodide.

Molecular Properties

Compound Name(3-aminophenyl)methanesulfinyl iodide
PubChem CID130291794
Molecular FormulaC7H8INOS
Molecular Weight281.12 g/mol
Exact Mass280.94
IUPAC Name(3-aminophenyl)methanesulfinyl iodide
SMILESNc1cccc(CS(=O)I)c1
InChIInChI=1S/C7H8INOS/c8-11(10)5-6-2-1-3-7(9)4-6/h1-4H,5,9H2
InChIKeyDFVFBTFGYQEGHI-UHFFFAOYSA-N
XLogP1.87
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.12
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3-aminophenyl)methanesulfinic acid
CID 19043009
3-(methylsulfinylmethyl)aniline
CID 54593710
1-(3-aminophenyl)-N-methylmethanesulfinamide
CID 145497836
3-[(2,6-dichlorophenyl)sulfinylmethyl]aniline
CID 113318169
3-(2-methoxyethylsulfinylmethyl)aniline
CID 54594034
3-[(3-bromophenyl)methylsulfinyl]aniline
CID 81181362
3-(chloromethyl)aniline
CID 18329590
3-(aminomethyl)aniline;dihydrochloride
CID 23346995
1-(3-aminophenyl)-N-(3-methoxypropyl)methanesulfinamide
CID 145497669
3-[(3,4-dichlorophenyl)methylsulfinyl]aniline
CID 81181088
(3-aminophenyl)methylphosphonic acid
CID 15930816
3-(2,2,2-trifluoroethyl)aniline
CID 54595012

Frequently Asked Questions

What is the IUPAC name of (3-aminophenyl)methanesulfinyl iodide?
The IUPAC name of (3-aminophenyl)methanesulfinyl iodide (CID 130291794) is (3-aminophenyl)methanesulfinyl iodide.
What is the SMILES notation for (3-aminophenyl)methanesulfinyl iodide?
The canonical SMILES for (3-aminophenyl)methanesulfinyl iodide is Nc1cccc(CS(=O)I)c1.
What is the InChIKey of (3-aminophenyl)methanesulfinyl iodide?
The InChIKey is DFVFBTFGYQEGHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8INOS/c8-11(10)5-6-2-1-3-7(9)4-6/h1-4H,5,9H2.
What are the key properties of (3-aminophenyl)methanesulfinyl iodide?
(3-aminophenyl)methanesulfinyl iodide has a molecular weight of 281.12 g/mol, XLogP of 1.87, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminophenyl)methanesulfinyl iodide is sourced from PubChem (CID 130291794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).