benzyl-imino-iodo-oxo-λ6-sulfane

C7H8INOS — CID 174301581

IUPACbenzyl-imino-iodo-oxo-λ6-sulfane
SMILES[H]N=S(=O)(I)Cc1ccccc1
InChIInChI=1S/C7H8INOS/c8-11(9,10)6-7-4-2-1-3-5-7/h1-5,9H,6H2
InChIKeyDKXRUELATCXMQJ-UHFFFAOYSA-N
MW281.12 g/mol
LogP2.58
Rot. Bonds2

About benzyl-imino-iodo-oxo-λ6-sulfane

benzyl-imino-iodo-oxo-λ6-sulfane (PubChem CID 174301581) has the molecular formula C7H8INOS and a molecular weight of 281.12 g/mol. Its IUPAC name is benzyl-imino-iodo-oxo-λ6-sulfane.

Molecular Properties

Compound Namebenzyl-imino-iodo-oxo-λ6-sulfane
PubChem CID174301581
Molecular FormulaC7H8INOS
Molecular Weight281.12 g/mol
Exact Mass280.94
IUPAC Namebenzyl-imino-iodo-oxo-λ6-sulfane
SMILES[H]N=S(=O)(I)Cc1ccccc1
InChIInChI=1S/C7H8INOS/c8-11(9,10)6-7-4-2-1-3-5-7/h1-5,9H,6H2
InChIKeyDKXRUELATCXMQJ-UHFFFAOYSA-N
XLogP2.58
TPSA40.92 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 ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze benzyl-imino-iodo-oxo-λ6-sulfane 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

N-iodo-1-phenylmethanesulfonamide
CID 88874569
2-(benzylsulfonimidoyl)acetonitrile
CID 112540626
azane;phenylmethanesulfonamide
CID 67842568
cerium(3+);phenylmethanesulfonate
CID 141496553
[(E)-2-benzylsulfonylethenyl]sulfonylmethylbenzene
CID 6158098
CID 68896583
CID 68896583
benzylsulfonylsulfanylsulfonylmethylbenzene
CID 68588123
alumane;phenylmethanesulfonic acid
CID 174435213
phenylmethanesulfonic acid;phosphane
CID 173374603
diiodomercury;tribenzyl(iodo)-λ4-sulfane
CID 134927805
sodium benzyl phenylmethanesulfonate
CID 22169271
N-(oxomethylidene)-1-phenylmethanesulfonamide
CID 14850654

Frequently Asked Questions

What is the IUPAC name of benzyl-imino-iodo-oxo-λ6-sulfane?
The IUPAC name of benzyl-imino-iodo-oxo-λ6-sulfane (CID 174301581) is benzyl-imino-iodo-oxo-λ6-sulfane.
What is the SMILES notation for benzyl-imino-iodo-oxo-λ6-sulfane?
The canonical SMILES for benzyl-imino-iodo-oxo-λ6-sulfane is [H]N=S(=O)(I)Cc1ccccc1.
What is the InChIKey of benzyl-imino-iodo-oxo-λ6-sulfane?
The InChIKey is DKXRUELATCXMQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8INOS/c8-11(9,10)6-7-4-2-1-3-5-7/h1-5,9H,6H2.
What are the key properties of benzyl-imino-iodo-oxo-λ6-sulfane?
benzyl-imino-iodo-oxo-λ6-sulfane has a molecular weight of 281.12 g/mol, XLogP of 2.58, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl-imino-iodo-oxo-λ6-sulfane is sourced from PubChem (CID 174301581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).