CID 122596265

C3H6IO2S4- — CID 122596265

IUPAC—
SMILESO=S(=O)(CCCI)[S-](=S)=S
InChIInChI=1S/C3H6IO2S4/c4-2-1-3-10(5,6)9(7)8/h1-3H2/q-1
InChIKeyGFUWWJUKKJOSHJ-UHFFFAOYSA-N
MW329.25 g/mol
LogP0.68
Rot. Bonds4

About CID 122596265

CID 122596265 (PubChem CID 122596265) has the molecular formula C3H6IO2S4- and a molecular weight of 329.25 g/mol.

Molecular Properties

Compound NameCID 122596265
PubChem CID122596265
Molecular FormulaC3H6IO2S4-
Molecular Weight329.25 g/mol
Exact Mass328.83
IUPAC Name—
SMILESO=S(=O)(CCCI)[S-](=S)=S
InChIInChI=1S/C3H6IO2S4/c4-2-1-3-10(5,6)9(7)8/h1-3H2/q-1
InChIKeyGFUWWJUKKJOSHJ-UHFFFAOYSA-N
XLogP0.68
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.25
LogP ≤ 50.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'disulphide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'thiol_1', 'substructure': 'N/A'}

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Related Compounds

1-ethylsulfonyl-3-iodopropane
CID 65096893
1-iodo-3-methyliodanuidylsulfonylpropane
CID 168819155
1-iodo-3-methylsulfonylpropane;3-methylsulfanylpropan-1-ol;3-methylsulfonylpropan-1-ol
CID 158320314
N-(6-iodohexyl)butane-1-sulfonamide
CID 107848989
1,11-diiodoundecane
CID 4060847
diethyl 2-amino-2-(3-iodopropylsulfonyl)propanedioate
CID 87526732
2-ethoxy-N-(4-iodobutyl)ethanesulfonamide
CID 106846595
sulfuryl diiodide
CID 22177328
methyl 4-(3-iodopropylsulfamoyl)butanoate
CID 106442100
N-(5-iodopentyl)methanesulfonamide
CID 107322901
3-iodo-N-(3-methylphenyl)propane-1-sulfonamide
CID 146534327
2-(2-iodoethylsulfonyl)-2-methylpropane
CID 106732671

Frequently Asked Questions

What is the IUPAC name of CID 122596265?
The IUPAC name of CID 122596265 (CID 122596265) is not available.
What is the SMILES notation for CID 122596265?
The canonical SMILES for CID 122596265 is O=S(=O)(CCCI)[S-](=S)=S.
What is the InChIKey of CID 122596265?
The InChIKey is GFUWWJUKKJOSHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6IO2S4/c4-2-1-3-10(5,6)9(7)8/h1-3H2/q-1.
What are the key properties of CID 122596265?
CID 122596265 has a molecular weight of 329.25 g/mol, XLogP of 0.68, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 122596265 is sourced from PubChem (CID 122596265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).