[2-[(1S)-1-methylsulfanylethyl]phenyl] selenohypoiodite

C9H11ISSe — CID 101424583

IUPAC[2-[(1S)-1-methylsulfanylethyl]phenyl] selenohypoiodite
SMILESCS[C@@H](C)c1ccccc1[Se]I
InChIInChI=1S/C9H11ISSe/c1-7(11-2)8-5-3-4-6-9(8)12-10/h3-7H,1-2H3/t7-/m0/s1
InChIKeyIGOWHSKDASBLMU-ZETCQYMHSA-N
MW357.12 g/mol
LogP2.79
Rot. Bonds3

About [2-[(1S)-1-methylsulfanylethyl]phenyl] selenohypoiodite

[2-[(1S)-1-methylsulfanylethyl]phenyl] selenohypoiodite (PubChem CID 101424583) has the molecular formula C9H11ISSe and a molecular weight of 357.12 g/mol. Its IUPAC name is [2-[(1S)-1-methylsulfanylethyl]phenyl] selenohypoiodite.

Molecular Properties

Compound Name[2-[(1S)-1-methylsulfanylethyl]phenyl] selenohypoiodite
PubChem CID101424583
Molecular FormulaC9H11ISSe
Molecular Weight357.12 g/mol
Exact Mass357.88
IUPAC Name[2-[(1S)-1-methylsulfanylethyl]phenyl] selenohypoiodite
SMILESCS[C@@H](C)c1ccccc1[Se]I
InChIInChI=1S/C9H11ISSe/c1-7(11-2)8-5-3-4-6-9(8)12-10/h3-7H,1-2H3/t7-/m0/s1
InChIKeyIGOWHSKDASBLMU-ZETCQYMHSA-N
XLogP2.79
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.12
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

[2-[(1S)-1-methylsulfanylethyl]phenyl]selanyl trifluoromethanesulfonate
CID 15500498
3-[[2-[(1S)-1-methylsulfanylethyl]phenyl]selanylmethyl]-1,2-oxazolidine
CID 101163102
1,2-dimethyl-3-(1-methylsulfanylethyl)benzene
CID 86182436
2-(1-methylsulfanylethyl)-6-propan-2-ylphenol
CID 170547306
1-(1-methylsulfanylethyl)-2-(2,2,2-trifluoroethoxy)benzene
CID 147194689
1-cyclopropyloxy-2-(1-methylsulfanylethyl)benzene
CID 146621005
2-ethyl-1-methyl-3-(1-methylsulfanylethyl)benzene
CID 143754852
1-[1-(trifluoromethylsulfanyl)ethyl]naphthalene
CID 175278434
carbon monoxide;chromium;N,N-dimethyl-1-(2-methylsulfanylphenyl)ethanamine
CID 85409782
2-methyl-1-(2-methylsulfanylphenyl)propan-1-ol
CID 115840237
2,6-bis(1-methylsulfanylethyl)pyridine
CID 90287547
1,2-di(propan-2-yl)benzene;dihydrate
CID 70397314

Frequently Asked Questions

What is the IUPAC name of [2-[(1S)-1-methylsulfanylethyl]phenyl] selenohypoiodite?
The IUPAC name of [2-[(1S)-1-methylsulfanylethyl]phenyl] selenohypoiodite (CID 101424583) is [2-[(1S)-1-methylsulfanylethyl]phenyl] selenohypoiodite.
What is the SMILES notation for [2-[(1S)-1-methylsulfanylethyl]phenyl] selenohypoiodite?
The canonical SMILES for [2-[(1S)-1-methylsulfanylethyl]phenyl] selenohypoiodite is CS[C@@H](C)c1ccccc1[Se]I.
What is the InChIKey of [2-[(1S)-1-methylsulfanylethyl]phenyl] selenohypoiodite?
The InChIKey is IGOWHSKDASBLMU-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H11ISSe/c1-7(11-2)8-5-3-4-6-9(8)12-10/h3-7H,1-2H3/t7-/m0/s1.
What are the key properties of [2-[(1S)-1-methylsulfanylethyl]phenyl] selenohypoiodite?
[2-[(1S)-1-methylsulfanylethyl]phenyl] selenohypoiodite has a molecular weight of 357.12 g/mol, XLogP of 2.79, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(1S)-1-methylsulfanylethyl]phenyl] selenohypoiodite is sourced from PubChem (CID 101424583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).