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

C5H10INOS2 — CID 129099301

IUPAC[(E)-(1-ethylsulfanyl-3-sulfanylpropan-2-ylidene)amino] hypoiodite
SMILESCCSC/C(CS)=N/OI
InChIInChI=1S/C5H10INOS2/c1-2-10-4-5(3-9)7-8-6/h9H,2-4H2,1H3/b7-5+
InChIKeyPPLUVNSNLYTLGT-FNORWQNLSA-N
MW291.18 g/mol
LogP2.39
Rot. Bonds5

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

[(E)-(1-ethylsulfanyl-3-sulfanylpropan-2-ylidene)amino] hypoiodite (PubChem CID 129099301) has the molecular formula C5H10INOS2 and a molecular weight of 291.18 g/mol. Its IUPAC name is [(E)-(1-ethylsulfanyl-3-sulfanylpropan-2-ylidene)amino] hypoiodite.

Molecular Properties

Compound Name[(E)-(1-ethylsulfanyl-3-sulfanylpropan-2-ylidene)amino] hypoiodite
PubChem CID129099301
Molecular FormulaC5H10INOS2
Molecular Weight291.18 g/mol
Exact Mass290.92
IUPAC Name[(E)-(1-ethylsulfanyl-3-sulfanylpropan-2-ylidene)amino] hypoiodite
SMILESCCSC/C(CS)=N/OI
InChIInChI=1S/C5H10INOS2/c1-2-10-4-5(3-9)7-8-6/h9H,2-4H2,1H3/b7-5+
InChIKeyPPLUVNSNLYTLGT-FNORWQNLSA-N
XLogP2.39
TPSA21.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.18
LogP ≤ 52.39
H-Bond Donors ≤ 51
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'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(E)-(1-ethylsulfanyl-3-sulfanylpropan-2-ylidene)amino] hypoiodite?
The IUPAC name of [(E)-(1-ethylsulfanyl-3-sulfanylpropan-2-ylidene)amino] hypoiodite (CID 129099301) is [(E)-(1-ethylsulfanyl-3-sulfanylpropan-2-ylidene)amino] hypoiodite.
What is the SMILES notation for [(E)-(1-ethylsulfanyl-3-sulfanylpropan-2-ylidene)amino] hypoiodite?
The canonical SMILES for [(E)-(1-ethylsulfanyl-3-sulfanylpropan-2-ylidene)amino] hypoiodite is CCSC/C(CS)=N/OI.
What is the InChIKey of [(E)-(1-ethylsulfanyl-3-sulfanylpropan-2-ylidene)amino] hypoiodite?
The InChIKey is PPLUVNSNLYTLGT-FNORWQNLSA-N. The full InChI is InChI=1S/C5H10INOS2/c1-2-10-4-5(3-9)7-8-6/h9H,2-4H2,1H3/b7-5+.
What are the key properties of [(E)-(1-ethylsulfanyl-3-sulfanylpropan-2-ylidene)amino] hypoiodite?
[(E)-(1-ethylsulfanyl-3-sulfanylpropan-2-ylidene)amino] hypoiodite has a molecular weight of 291.18 g/mol, XLogP of 2.39, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-(1-ethylsulfanyl-3-sulfanylpropan-2-ylidene)amino] hypoiodite is sourced from PubChem (CID 129099301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).