[1,3-bis(methylsulfanyl)propan-2-ylideneamino] hypoiodite

C5H10INOS2 — CID 118192292

IUPAC[1,3-bis(methylsulfanyl)propan-2-ylideneamino] hypoiodite
SMILESCSCC(CSC)=NOI
InChIInChI=1S/C5H10INOS2/c1-9-3-5(4-10-2)7-8-6/h3-4H2,1-2H3
InChIKeyMJILAHGCHRAACG-UHFFFAOYSA-N
MW291.18 g/mol
LogP2.43
Rot. Bonds5

About [1,3-bis(methylsulfanyl)propan-2-ylideneamino] hypoiodite

[1,3-bis(methylsulfanyl)propan-2-ylideneamino] hypoiodite (PubChem CID 118192292) has the molecular formula C5H10INOS2 and a molecular weight of 291.18 g/mol. Its IUPAC name is [1,3-bis(methylsulfanyl)propan-2-ylideneamino] hypoiodite.

Molecular Properties

Compound Name[1,3-bis(methylsulfanyl)propan-2-ylideneamino] hypoiodite
PubChem CID118192292
Molecular FormulaC5H10INOS2
Molecular Weight291.18 g/mol
Exact Mass290.92
IUPAC Name[1,3-bis(methylsulfanyl)propan-2-ylideneamino] hypoiodite
SMILESCSCC(CSC)=NOI
InChIInChI=1S/C5H10INOS2/c1-9-3-5(4-10-2)7-8-6/h3-4H2,1-2H3
InChIKeyMJILAHGCHRAACG-UHFFFAOYSA-N
XLogP2.43
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.18
LogP ≤ 52.43
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 [1,3-bis(methylsulfanyl)propan-2-ylideneamino] hypoiodite?
The IUPAC name of [1,3-bis(methylsulfanyl)propan-2-ylideneamino] hypoiodite (CID 118192292) is [1,3-bis(methylsulfanyl)propan-2-ylideneamino] hypoiodite.
What is the SMILES notation for [1,3-bis(methylsulfanyl)propan-2-ylideneamino] hypoiodite?
The canonical SMILES for [1,3-bis(methylsulfanyl)propan-2-ylideneamino] hypoiodite is CSCC(CSC)=NOI.
What is the InChIKey of [1,3-bis(methylsulfanyl)propan-2-ylideneamino] hypoiodite?
The InChIKey is MJILAHGCHRAACG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10INOS2/c1-9-3-5(4-10-2)7-8-6/h3-4H2,1-2H3.
What are the key properties of [1,3-bis(methylsulfanyl)propan-2-ylideneamino] hypoiodite?
[1,3-bis(methylsulfanyl)propan-2-ylideneamino] hypoiodite has a molecular weight of 291.18 g/mol, XLogP of 2.43, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1,3-bis(methylsulfanyl)propan-2-ylideneamino] hypoiodite is sourced from PubChem (CID 118192292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).