[(E)-(1-ethylsulfanyl-3-methylsulfanylpropan-2-ylidene)amino] hypoiodite

C6H12INOS2 — CID 121327536

IUPAC[(E)-(1-ethylsulfanyl-3-methylsulfanylpropan-2-ylidene)amino] hypoiodite
SMILESCCSC/C(CSC)=N/OI
InChIInChI=1S/C6H12INOS2/c1-3-11-5-6(4-10-2)8-9-7/h3-5H2,1-2H3/b8-6+
InChIKeyPGKJKVYFFBOAKB-SOFGYWHQSA-N
MW305.21 g/mol
LogP2.83
Rot. Bonds6

About [(E)-(1-ethylsulfanyl-3-methylsulfanylpropan-2-ylidene)amino] hypoiodite

[(E)-(1-ethylsulfanyl-3-methylsulfanylpropan-2-ylidene)amino] hypoiodite (PubChem CID 121327536) has the molecular formula C6H12INOS2 and a molecular weight of 305.21 g/mol. Its IUPAC name is [(E)-(1-ethylsulfanyl-3-methylsulfanylpropan-2-ylidene)amino] hypoiodite.

Molecular Properties

Compound Name[(E)-(1-ethylsulfanyl-3-methylsulfanylpropan-2-ylidene)amino] hypoiodite
PubChem CID121327536
Molecular FormulaC6H12INOS2
Molecular Weight305.21 g/mol
Exact Mass304.94
IUPAC Name[(E)-(1-ethylsulfanyl-3-methylsulfanylpropan-2-ylidene)amino] hypoiodite
SMILESCCSC/C(CSC)=N/OI
InChIInChI=1S/C6H12INOS2/c1-3-11-5-6(4-10-2)8-9-7/h3-5H2,1-2H3/b8-6+
InChIKeyPGKJKVYFFBOAKB-SOFGYWHQSA-N
XLogP2.83
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.21
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(E)-(1-ethylsulfanyl-3-methylsulfanylpropan-2-ylidene)amino] hypoiodite?
The IUPAC name of [(E)-(1-ethylsulfanyl-3-methylsulfanylpropan-2-ylidene)amino] hypoiodite (CID 121327536) is [(E)-(1-ethylsulfanyl-3-methylsulfanylpropan-2-ylidene)amino] hypoiodite.
What is the SMILES notation for [(E)-(1-ethylsulfanyl-3-methylsulfanylpropan-2-ylidene)amino] hypoiodite?
The canonical SMILES for [(E)-(1-ethylsulfanyl-3-methylsulfanylpropan-2-ylidene)amino] hypoiodite is CCSC/C(CSC)=N/OI.
What is the InChIKey of [(E)-(1-ethylsulfanyl-3-methylsulfanylpropan-2-ylidene)amino] hypoiodite?
The InChIKey is PGKJKVYFFBOAKB-SOFGYWHQSA-N. The full InChI is InChI=1S/C6H12INOS2/c1-3-11-5-6(4-10-2)8-9-7/h3-5H2,1-2H3/b8-6+.
What are the key properties of [(E)-(1-ethylsulfanyl-3-methylsulfanylpropan-2-ylidene)amino] hypoiodite?
[(E)-(1-ethylsulfanyl-3-methylsulfanylpropan-2-ylidene)amino] hypoiodite has a molecular weight of 305.21 g/mol, XLogP of 2.83, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-(1-ethylsulfanyl-3-methylsulfanylpropan-2-ylidene)amino] hypoiodite is sourced from PubChem (CID 121327536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).