N-tert-butylsulfinylmethanimidoyl iodide

C5H10INOS — CID 154006692

IUPACN-tert-butylsulfinylmethanimidoyl iodide
SMILESCC(C)(C)S(=O)N=CI
InChIInChI=1S/C5H10INOS/c1-5(2,3)9(8)7-4-6/h4H,1-3H3
InChIKeyFYYPNEBBZUBSIO-UHFFFAOYSA-N
MW259.11 g/mol
LogP1.91
Rot. Bonds1

About N-tert-butylsulfinylmethanimidoyl iodide

N-tert-butylsulfinylmethanimidoyl iodide (PubChem CID 154006692) has the molecular formula C5H10INOS and a molecular weight of 259.11 g/mol. Its IUPAC name is N-tert-butylsulfinylmethanimidoyl iodide.

Molecular Properties

Compound NameN-tert-butylsulfinylmethanimidoyl iodide
PubChem CID154006692
Molecular FormulaC5H10INOS
Molecular Weight259.11 g/mol
Exact Mass258.95
IUPAC NameN-tert-butylsulfinylmethanimidoyl iodide
SMILESCC(C)(C)S(=O)N=CI
InChIInChI=1S/C5H10INOS/c1-5(2,3)9(8)7-4-6/h4H,1-3H3
InChIKeyFYYPNEBBZUBSIO-UHFFFAOYSA-N
XLogP1.91
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.11
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-tert-butylsulfinylmethanimidoyl iodide?
The IUPAC name of N-tert-butylsulfinylmethanimidoyl iodide (CID 154006692) is N-tert-butylsulfinylmethanimidoyl iodide.
What is the SMILES notation for N-tert-butylsulfinylmethanimidoyl iodide?
The canonical SMILES for N-tert-butylsulfinylmethanimidoyl iodide is CC(C)(C)S(=O)N=CI.
What is the InChIKey of N-tert-butylsulfinylmethanimidoyl iodide?
The InChIKey is FYYPNEBBZUBSIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10INOS/c1-5(2,3)9(8)7-4-6/h4H,1-3H3.
What are the key properties of N-tert-butylsulfinylmethanimidoyl iodide?
N-tert-butylsulfinylmethanimidoyl iodide has a molecular weight of 259.11 g/mol, XLogP of 1.91, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butylsulfinylmethanimidoyl iodide is sourced from PubChem (CID 154006692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).