methylamino thiohypoiodite

CH4INS — CID 90273568

IUPACmethylamino thiohypoiodite
SMILESCNSI
InChIInChI=1S/CH4INS/c1-3-4-2/h3H,1H3
InChIKeyKQYGCSBKPQVOLM-UHFFFAOYSA-N
MW189.02 g/mol
LogP1.20
Rot. Bonds1

About methylamino thiohypoiodite

methylamino thiohypoiodite (PubChem CID 90273568) has the molecular formula CH4INS and a molecular weight of 189.02 g/mol. Its IUPAC name is methylamino thiohypoiodite.

Molecular Properties

Compound Namemethylamino thiohypoiodite
PubChem CID90273568
Molecular FormulaCH4INS
Molecular Weight189.02 g/mol
Exact Mass188.91
IUPAC Namemethylamino thiohypoiodite
SMILESCNSI
InChIInChI=1S/CH4INS/c1-3-4-2/h3H,1H3
InChIKeyKQYGCSBKPQVOLM-UHFFFAOYSA-N
XLogP1.20
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms4
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.02
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methylamino thiohypoiodite?
The IUPAC name of methylamino thiohypoiodite (CID 90273568) is methylamino thiohypoiodite.
What is the SMILES notation for methylamino thiohypoiodite?
The canonical SMILES for methylamino thiohypoiodite is CNSI.
What is the InChIKey of methylamino thiohypoiodite?
The InChIKey is KQYGCSBKPQVOLM-UHFFFAOYSA-N. The full InChI is InChI=1S/CH4INS/c1-3-4-2/h3H,1H3.
What are the key properties of methylamino thiohypoiodite?
methylamino thiohypoiodite has a molecular weight of 189.02 g/mol, XLogP of 1.20, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methylamino thiohypoiodite is sourced from PubChem (CID 90273568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).