[ethenyl-(N-ethenyl-C-ethylcarbonimidoyl)amino] thiohypoiodite

C7H11IN2S — CID 153398429

IUPAC[ethenyl-(N-ethenyl-C-ethylcarbonimidoyl)amino] thiohypoiodite
SMILESC=C/N=C(\CC)N(C=C)SI
InChIInChI=1S/C7H11IN2S/c1-4-7(9-5-2)10(6-3)11-8/h5-6H,2-4H2,1H3/b9-7+
InChIKeyIKPLETIIKWZWAZ-VQHVLOKHSA-N
MW282.15 g/mol
LogP3.38
Rot. Bonds4

About [ethenyl-(N-ethenyl-C-ethylcarbonimidoyl)amino] thiohypoiodite

[ethenyl-(N-ethenyl-C-ethylcarbonimidoyl)amino] thiohypoiodite (PubChem CID 153398429) has the molecular formula C7H11IN2S and a molecular weight of 282.15 g/mol. Its IUPAC name is [ethenyl-(N-ethenyl-C-ethylcarbonimidoyl)amino] thiohypoiodite.

Molecular Properties

Compound Name[ethenyl-(N-ethenyl-C-ethylcarbonimidoyl)amino] thiohypoiodite
PubChem CID153398429
Molecular FormulaC7H11IN2S
Molecular Weight282.15 g/mol
Exact Mass281.97
IUPAC Name[ethenyl-(N-ethenyl-C-ethylcarbonimidoyl)amino] thiohypoiodite
SMILESC=C/N=C(\CC)N(C=C)SI
InChIInChI=1S/C7H11IN2S/c1-4-7(9-5-2)10(6-3)11-8/h5-6H,2-4H2,1H3/b9-7+
InChIKeyIKPLETIIKWZWAZ-VQHVLOKHSA-N
XLogP3.38
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.15
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

Analyze [ethenyl-(N-ethenyl-C-ethylcarbonimidoyl)amino] thiohypoiodite with MolForge

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

Launch Full Analysis

Related Compounds

2-(dimethylamino)-N'-ethenyl-N-ethyl-N-methylethanimidamide
CID 169107281
ethane;ethyl N-ethenylethanimidothioate
CID 143602053
ethane;N-ethenylpent-1-en-3-imine
CID 143591103
[1-(dimethylamino)-1-ethenyliminobutan-2-ylidene]tungsten
CID 158899138
N-ethenyl-5-methyl-4-methylidenehexan-3-imine
CID 177170143
butane;ethane;N-ethenylbut-3-en-2-imine
CID 145149803
(4E)-N-ethenyl-2,5-dimethyl-4-propylhepta-1,4-dien-3-imine
CID 143544186
N,N-dimethyl-N'-[(Z)-prop-1-enyl]propanimidamide
CID 170048230
ethyl N-ethenylprop-2-enimidate
CID 143813400
(2Z)-N'-ethenyl-N-ethyl-N-methylpenta-2,4-dienimidamide
CID 166999090
2-ethenyl-1-ethyl-1-[2-(methylamino)ethyl]-3-methylideneguanidine
CID 163900004
N'-ethenyl-N,N-dimethylprop-2-enimidamide
CID 143598460

Frequently Asked Questions

What is the IUPAC name of [ethenyl-(N-ethenyl-C-ethylcarbonimidoyl)amino] thiohypoiodite?
The IUPAC name of [ethenyl-(N-ethenyl-C-ethylcarbonimidoyl)amino] thiohypoiodite (CID 153398429) is [ethenyl-(N-ethenyl-C-ethylcarbonimidoyl)amino] thiohypoiodite.
What is the SMILES notation for [ethenyl-(N-ethenyl-C-ethylcarbonimidoyl)amino] thiohypoiodite?
The canonical SMILES for [ethenyl-(N-ethenyl-C-ethylcarbonimidoyl)amino] thiohypoiodite is C=C/N=C(\CC)N(C=C)SI.
What is the InChIKey of [ethenyl-(N-ethenyl-C-ethylcarbonimidoyl)amino] thiohypoiodite?
The InChIKey is IKPLETIIKWZWAZ-VQHVLOKHSA-N. The full InChI is InChI=1S/C7H11IN2S/c1-4-7(9-5-2)10(6-3)11-8/h5-6H,2-4H2,1H3/b9-7+.
What are the key properties of [ethenyl-(N-ethenyl-C-ethylcarbonimidoyl)amino] thiohypoiodite?
[ethenyl-(N-ethenyl-C-ethylcarbonimidoyl)amino] thiohypoiodite has a molecular weight of 282.15 g/mol, XLogP of 3.38, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [ethenyl-(N-ethenyl-C-ethylcarbonimidoyl)amino] thiohypoiodite is sourced from PubChem (CID 153398429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).