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

C7H14INOS2 — CID 121327523

IUPAC[1,3-bis(ethylsulfanyl)propan-2-ylideneamino] hypoiodite
SMILESCCSCC(CSCC)=NOI
InChIInChI=1S/C7H14INOS2/c1-3-11-5-7(9-10-8)6-12-4-2/h3-6H2,1-2H3
InChIKeyMHRUTXKCYJBONT-UHFFFAOYSA-N
MW319.23 g/mol
LogP3.22
Rot. Bonds7

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

[1,3-bis(ethylsulfanyl)propan-2-ylideneamino] hypoiodite (PubChem CID 121327523) has the molecular formula C7H14INOS2 and a molecular weight of 319.23 g/mol. Its IUPAC name is [1,3-bis(ethylsulfanyl)propan-2-ylideneamino] hypoiodite.

Molecular Properties

Compound Name[1,3-bis(ethylsulfanyl)propan-2-ylideneamino] hypoiodite
PubChem CID121327523
Molecular FormulaC7H14INOS2
Molecular Weight319.23 g/mol
Exact Mass318.96
IUPAC Name[1,3-bis(ethylsulfanyl)propan-2-ylideneamino] hypoiodite
SMILESCCSCC(CSCC)=NOI
InChIInChI=1S/C7H14INOS2/c1-3-11-5-7(9-10-8)6-12-4-2/h3-6H2,1-2H3
InChIKeyMHRUTXKCYJBONT-UHFFFAOYSA-N
XLogP3.22
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.23
LogP ≤ 53.22
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'}

Analyze [1,3-bis(ethylsulfanyl)propan-2-ylideneamino] hypoiodite with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [1,3-bis(ethylsulfanyl)propan-2-ylideneamino] hypoiodite?
The IUPAC name of [1,3-bis(ethylsulfanyl)propan-2-ylideneamino] hypoiodite (CID 121327523) is [1,3-bis(ethylsulfanyl)propan-2-ylideneamino] hypoiodite.
What is the SMILES notation for [1,3-bis(ethylsulfanyl)propan-2-ylideneamino] hypoiodite?
The canonical SMILES for [1,3-bis(ethylsulfanyl)propan-2-ylideneamino] hypoiodite is CCSCC(CSCC)=NOI.
What is the InChIKey of [1,3-bis(ethylsulfanyl)propan-2-ylideneamino] hypoiodite?
The InChIKey is MHRUTXKCYJBONT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14INOS2/c1-3-11-5-7(9-10-8)6-12-4-2/h3-6H2,1-2H3.
What are the key properties of [1,3-bis(ethylsulfanyl)propan-2-ylideneamino] hypoiodite?
[1,3-bis(ethylsulfanyl)propan-2-ylideneamino] hypoiodite has a molecular weight of 319.23 g/mol, XLogP of 3.22, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1,3-bis(ethylsulfanyl)propan-2-ylideneamino] hypoiodite is sourced from PubChem (CID 121327523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).