imino-iodo-methyl-oxo-λ6-sulfane

CH4INOS — CID 89488893

IUPACimino-iodo-methyl-oxo-λ6-sulfane
SMILES[H]N=S(C)(=O)I
InChIInChI=1S/CH4INOS/c1-5(2,3)4/h3H,1H3
InChIKeyMYAQJGPBJDOFHP-UHFFFAOYSA-N
MW205.02 g/mol
LogP1.01
Rot. Bonds

About imino-iodo-methyl-oxo-λ6-sulfane

imino-iodo-methyl-oxo-λ6-sulfane (PubChem CID 89488893) has the molecular formula CH4INOS and a molecular weight of 205.02 g/mol. Its IUPAC name is imino-iodo-methyl-oxo-λ6-sulfane.

Molecular Properties

Compound Nameimino-iodo-methyl-oxo-λ6-sulfane
PubChem CID89488893
Molecular FormulaCH4INOS
Molecular Weight205.02 g/mol
Exact Mass204.91
IUPAC Nameimino-iodo-methyl-oxo-λ6-sulfane
SMILES[H]N=S(C)(=O)I
InChIInChI=1S/CH4INOS/c1-5(2,3)4/h3H,1H3
InChIKeyMYAQJGPBJDOFHP-UHFFFAOYSA-N
XLogP1.01
TPSA40.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.02
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of imino-iodo-methyl-oxo-λ6-sulfane?
The IUPAC name of imino-iodo-methyl-oxo-λ6-sulfane (CID 89488893) is imino-iodo-methyl-oxo-λ6-sulfane.
What is the SMILES notation for imino-iodo-methyl-oxo-λ6-sulfane?
The canonical SMILES for imino-iodo-methyl-oxo-λ6-sulfane is [H]N=S(C)(=O)I.
What is the InChIKey of imino-iodo-methyl-oxo-λ6-sulfane?
The InChIKey is MYAQJGPBJDOFHP-UHFFFAOYSA-N. The full InChI is InChI=1S/CH4INOS/c1-5(2,3)4/h3H,1H3.
What are the key properties of imino-iodo-methyl-oxo-λ6-sulfane?
imino-iodo-methyl-oxo-λ6-sulfane has a molecular weight of 205.02 g/mol, XLogP of 1.01, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for imino-iodo-methyl-oxo-λ6-sulfane is sourced from PubChem (CID 89488893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).