2-iodoprop-2-enylsulfinylbenzene

C9H9IOS — CID 10685022

IUPAC2-iodoprop-2-enylsulfinylbenzene
SMILESC=C(I)CS(=O)c1ccccc1
InChIInChI=1S/C9H9IOS/c1-8(10)7-12(11)9-5-3-2-4-6-9/h2-6H,1,7H2
InChIKeyWIZUPQOGFPAHBR-UHFFFAOYSA-N
MW292.14 g/mol
LogP2.74
Rot. Bonds3

About 2-iodoprop-2-enylsulfinylbenzene

2-iodoprop-2-enylsulfinylbenzene (PubChem CID 10685022) has the molecular formula C9H9IOS and a molecular weight of 292.14 g/mol. Its IUPAC name is 2-iodoprop-2-enylsulfinylbenzene.

Molecular Properties

Compound Name2-iodoprop-2-enylsulfinylbenzene
PubChem CID10685022
Molecular FormulaC9H9IOS
Molecular Weight292.14 g/mol
Exact Mass291.94
IUPAC Name2-iodoprop-2-enylsulfinylbenzene
SMILESC=C(I)CS(=O)c1ccccc1
InChIInChI=1S/C9H9IOS/c1-8(10)7-12(11)9-5-3-2-4-6-9/h2-6H,1,7H2
InChIKeyWIZUPQOGFPAHBR-UHFFFAOYSA-N
XLogP2.74
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.14
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-iodoprop-2-enylsulfinylbenzene with MolForge

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

Launch Full Analysis

Related Compounds

2-(benzenesulfinyl)acetate
CID 23432658
6-(benzenesulfinyl)hexylsulfinylbenzene
CID 15525512
2-(benzenesulfinyl)-N,N-dimethylacetamide
CID 25183887
2-(benzenesulfinyl)-1-cyclopropylethanone
CID 64637996
1-(benzenesulfinyl)ethenylsulfinylbenzene
CID 19348887
pent-4-enylsulfinylbenzene
CID 15893040
ethylsulfinylbenzene;palladium
CID 174712422
(2R)-1-(benzenesulfinyl)propan-2-ol
CID 101158828
(2S)-1-[(S)-phenylsulfinyl]propan-2-ol
CID 11206200
iodozinc(1+);propylsulfinylbenzene
CID 14906269
2-[(S)-phenylsulfinyl]ethanamine
CID 51410895
(4R)-1-(benzenesulfinyl)-5,5,5-trichloro-4-hydroxypentan-2-one
CID 139761262

Frequently Asked Questions

What is the IUPAC name of 2-iodoprop-2-enylsulfinylbenzene?
The IUPAC name of 2-iodoprop-2-enylsulfinylbenzene (CID 10685022) is 2-iodoprop-2-enylsulfinylbenzene.
What is the SMILES notation for 2-iodoprop-2-enylsulfinylbenzene?
The canonical SMILES for 2-iodoprop-2-enylsulfinylbenzene is C=C(I)CS(=O)c1ccccc1.
What is the InChIKey of 2-iodoprop-2-enylsulfinylbenzene?
The InChIKey is WIZUPQOGFPAHBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9IOS/c1-8(10)7-12(11)9-5-3-2-4-6-9/h2-6H,1,7H2.
What are the key properties of 2-iodoprop-2-enylsulfinylbenzene?
2-iodoprop-2-enylsulfinylbenzene has a molecular weight of 292.14 g/mol, XLogP of 2.74, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodoprop-2-enylsulfinylbenzene is sourced from PubChem (CID 10685022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).