methylsulfanylmethanesulfinyl iodide

C2H5IOS2 — CID 89327541

IUPACmethylsulfanylmethanesulfinyl iodide
SMILESCSCS(=O)I
InChIInChI=1S/C2H5IOS2/c1-5-2-6(3)4/h2H2,1H3
InChIKeyQSNOKDZIMDTKHC-UHFFFAOYSA-N
MW236.10 g/mol
LogP1.41
Rot. Bonds2

About methylsulfanylmethanesulfinyl iodide

methylsulfanylmethanesulfinyl iodide (PubChem CID 89327541) has the molecular formula C2H5IOS2 and a molecular weight of 236.10 g/mol. Its IUPAC name is methylsulfanylmethanesulfinyl iodide.

Molecular Properties

Compound Namemethylsulfanylmethanesulfinyl iodide
PubChem CID89327541
Molecular FormulaC2H5IOS2
Molecular Weight236.10 g/mol
Exact Mass235.88
IUPAC Namemethylsulfanylmethanesulfinyl iodide
SMILESCSCS(=O)I
InChIInChI=1S/C2H5IOS2/c1-5-2-6(3)4/h2H2,1H3
InChIKeyQSNOKDZIMDTKHC-UHFFFAOYSA-N
XLogP1.41
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.10
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(methylsulfanylmethylsulfinyl)ethane
CID 24977145
methylsulfanylethane;sulfur trioxide
CID 159085380
2-methylsulfanylethyl sulfite
CID 118684475
1-tert-butylsulfinyl-4-methylsulfanylbutane
CID 102006899
(2S)-2-[[(2S)-2-amino-4-methylsulfanylbutanoyl]amino]-4-methylsulfanyl-1-oxobutane-1-sulfinate
CID 54568288
(2S)-2-amino-1-[(2S)-2-amino-4-methylsulfanylbutanoyl]sulfinyl-4-methylsulfanylbutan-1-one
CID 57317539
(2R)-1-(methoxymethoxy)-3-(methylsulfanylmethylsulfinyl)propan-2-amine
CID 134895058
1-ethylsulfonylethane;sulfur trioxide
CID 159641357
trimethyl(2-methylsulfanylethyl)azanium chloride
CID 88852925
1,1-diiodoethane;iodoethane;methane;methylsulfanylmethane;methylsulfinylmethane;dihydrate
CID 158137676
S-methyl 3,3-bis(methylsulfinyl)propanethioate
CID 13209765
CID 175004048
CID 175004048

Frequently Asked Questions

What is the IUPAC name of methylsulfanylmethanesulfinyl iodide?
The IUPAC name of methylsulfanylmethanesulfinyl iodide (CID 89327541) is methylsulfanylmethanesulfinyl iodide.
What is the SMILES notation for methylsulfanylmethanesulfinyl iodide?
The canonical SMILES for methylsulfanylmethanesulfinyl iodide is CSCS(=O)I.
What is the InChIKey of methylsulfanylmethanesulfinyl iodide?
The InChIKey is QSNOKDZIMDTKHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H5IOS2/c1-5-2-6(3)4/h2H2,1H3.
What are the key properties of methylsulfanylmethanesulfinyl iodide?
methylsulfanylmethanesulfinyl iodide has a molecular weight of 236.10 g/mol, XLogP of 1.41, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methylsulfanylmethanesulfinyl iodide is sourced from PubChem (CID 89327541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).