[(Z)-(1-tert-butylsulfanyl-3-methylsulfanylpropan-2-ylidene)amino] hypoiodite

C8H16INOS2 — CID 129098638

IUPAC[(Z)-(1-tert-butylsulfanyl-3-methylsulfanylpropan-2-ylidene)amino] hypoiodite
SMILESCSC/C(CSC(C)(C)C)=N/OI
InChIInChI=1S/C8H16INOS2/c1-8(2,3)13-6-7(5-12-4)10-11-9/h5-6H2,1-4H3/b10-7-
InChIKeyJRKRDOGCXXBTIH-YFHOEESVSA-N
MW333.26 g/mol
LogP3.60
Rot. Bonds5

About [(Z)-(1-tert-butylsulfanyl-3-methylsulfanylpropan-2-ylidene)amino] hypoiodite

[(Z)-(1-tert-butylsulfanyl-3-methylsulfanylpropan-2-ylidene)amino] hypoiodite (PubChem CID 129098638) has the molecular formula C8H16INOS2 and a molecular weight of 333.26 g/mol. Its IUPAC name is [(Z)-(1-tert-butylsulfanyl-3-methylsulfanylpropan-2-ylidene)amino] hypoiodite.

Molecular Properties

Compound Name[(Z)-(1-tert-butylsulfanyl-3-methylsulfanylpropan-2-ylidene)amino] hypoiodite
PubChem CID129098638
Molecular FormulaC8H16INOS2
Molecular Weight333.26 g/mol
Exact Mass332.97
IUPAC Name[(Z)-(1-tert-butylsulfanyl-3-methylsulfanylpropan-2-ylidene)amino] hypoiodite
SMILESCSC/C(CSC(C)(C)C)=N/OI
InChIInChI=1S/C8H16INOS2/c1-8(2,3)13-6-7(5-12-4)10-11-9/h5-6H2,1-4H3/b10-7-
InChIKeyJRKRDOGCXXBTIH-YFHOEESVSA-N
XLogP3.60
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.26
LogP ≤ 53.60
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 [(Z)-(1-tert-butylsulfanyl-3-methylsulfanylpropan-2-ylidene)amino] hypoiodite?
The IUPAC name of [(Z)-(1-tert-butylsulfanyl-3-methylsulfanylpropan-2-ylidene)amino] hypoiodite (CID 129098638) is [(Z)-(1-tert-butylsulfanyl-3-methylsulfanylpropan-2-ylidene)amino] hypoiodite.
What is the SMILES notation for [(Z)-(1-tert-butylsulfanyl-3-methylsulfanylpropan-2-ylidene)amino] hypoiodite?
The canonical SMILES for [(Z)-(1-tert-butylsulfanyl-3-methylsulfanylpropan-2-ylidene)amino] hypoiodite is CSC/C(CSC(C)(C)C)=N/OI.
What is the InChIKey of [(Z)-(1-tert-butylsulfanyl-3-methylsulfanylpropan-2-ylidene)amino] hypoiodite?
The InChIKey is JRKRDOGCXXBTIH-YFHOEESVSA-N. The full InChI is InChI=1S/C8H16INOS2/c1-8(2,3)13-6-7(5-12-4)10-11-9/h5-6H2,1-4H3/b10-7-.
What are the key properties of [(Z)-(1-tert-butylsulfanyl-3-methylsulfanylpropan-2-ylidene)amino] hypoiodite?
[(Z)-(1-tert-butylsulfanyl-3-methylsulfanylpropan-2-ylidene)amino] hypoiodite has a molecular weight of 333.26 g/mol, XLogP of 3.60, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-(1-tert-butylsulfanyl-3-methylsulfanylpropan-2-ylidene)amino] hypoiodite is sourced from PubChem (CID 129098638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).