N-[(sulfanyl-λ3-iodanylidene)amino]ethanimine

C2H5IN2S — CID 88579558

IUPACN-[(sulfanyl-λ3-iodanylidene)amino]ethanimine
SMILESC/C=N/N=I/S
InChIInChI=1S/C2H5IN2S/c1-2-4-5-3-6/h2H,1H3,(H,5,6)/b4-2+
InChIKeyDHEMAZPQMOCLCS-DUXPYHPUSA-N
MW216.05 g/mol
LogP1.99
Rot. Bonds1

About N-[(sulfanyl-λ3-iodanylidene)amino]ethanimine

N-[(sulfanyl-λ3-iodanylidene)amino]ethanimine (PubChem CID 88579558) has the molecular formula C2H5IN2S and a molecular weight of 216.05 g/mol. Its IUPAC name is N-[(sulfanyl-λ3-iodanylidene)amino]ethanimine.

Molecular Properties

Compound NameN-[(sulfanyl-λ3-iodanylidene)amino]ethanimine
PubChem CID88579558
Molecular FormulaC2H5IN2S
Molecular Weight216.05 g/mol
Exact Mass215.92
IUPAC NameN-[(sulfanyl-λ3-iodanylidene)amino]ethanimine
SMILESC/C=N/N=I/S
InChIInChI=1S/C2H5IN2S/c1-2-4-5-3-6/h2H,1H3,(H,5,6)/b4-2+
InChIKeyDHEMAZPQMOCLCS-DUXPYHPUSA-N
XLogP1.99
TPSA24.72 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.05
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 N-[(sulfanyl-λ3-iodanylidene)amino]ethanimine?
The IUPAC name of N-[(sulfanyl-λ3-iodanylidene)amino]ethanimine (CID 88579558) is N-[(sulfanyl-λ3-iodanylidene)amino]ethanimine.
What is the SMILES notation for N-[(sulfanyl-λ3-iodanylidene)amino]ethanimine?
The canonical SMILES for N-[(sulfanyl-λ3-iodanylidene)amino]ethanimine is C/C=N/N=I/S.
What is the InChIKey of N-[(sulfanyl-λ3-iodanylidene)amino]ethanimine?
The InChIKey is DHEMAZPQMOCLCS-DUXPYHPUSA-N. The full InChI is InChI=1S/C2H5IN2S/c1-2-4-5-3-6/h2H,1H3,(H,5,6)/b4-2+.
What are the key properties of N-[(sulfanyl-λ3-iodanylidene)amino]ethanimine?
N-[(sulfanyl-λ3-iodanylidene)amino]ethanimine has a molecular weight of 216.05 g/mol, XLogP of 1.99, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(sulfanyl-λ3-iodanylidene)amino]ethanimine is sourced from PubChem (CID 88579558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).