methyl N,N'-diiodocarbamimidothioate

C2H4I2N2S — CID 163590093

IUPACmethyl N,N'-diiodocarbamimidothioate
SMILESCSC(=NI)NI
InChIInChI=1S/C2H4I2N2S/c1-7-2(5-3)6-4/h1H3,(H,5,6)
InChIKeyGOUFPOGQUAOPET-UHFFFAOYSA-N
MW341.94 g/mol
LogP2.00
Rot. Bonds

About methyl N,N'-diiodocarbamimidothioate

methyl N,N'-diiodocarbamimidothioate (PubChem CID 163590093) has the molecular formula C2H4I2N2S and a molecular weight of 341.94 g/mol. Its IUPAC name is methyl N,N'-diiodocarbamimidothioate.

Molecular Properties

Compound Namemethyl N,N'-diiodocarbamimidothioate
PubChem CID163590093
Molecular FormulaC2H4I2N2S
Molecular Weight341.94 g/mol
Exact Mass341.82
IUPAC Namemethyl N,N'-diiodocarbamimidothioate
SMILESCSC(=NI)NI
InChIInChI=1S/C2H4I2N2S/c1-7-2(5-3)6-4/h1H3,(H,5,6)
InChIKeyGOUFPOGQUAOPET-UHFFFAOYSA-N
XLogP2.00
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.94
LogP ≤ 52.00
H-Bond Donors ≤ 51
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': 'N-halo', 'substructure': 'N/A'}

Analyze methyl N,N'-diiodocarbamimidothioate 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

methyl 2-amino-N-iodo-2-oxoethanimidothioate
CID 163983413
methyl N-[(E)-ethylideneamino]-N'-methylcarbamimidothioate
CID 121389053
methyl N'-methyl-N-methylsulfonylcarbamimidothioate
CID 13247984
methyl N-[(E)-but-2-en-2-yl]-N'-methylcarbamimidothioate
CID 144711519
2-[[[(2-methoxy-2-oxoacetyl)amino]-methylsulfanylmethylidene]amino]-2-oxoacetic acid
CID 87532479
methyl N'-tert-butyl-N-(propan-2-ylideneamino)carbamimidothioate
CID 11138139
methyl N'-phenyl-N-(propan-2-ylideneamino)carbamimidothioate
CID 4564730
methyl N'-ethyl-N-prop-1-en-2-ylcarbamimidothioate
CID 142019260
methyl N'-(2,6-dimethylphenyl)-N-[[N-(2,6-dimethylphenyl)-C-methylsulfanylcarbonimidoyl]amino]carbamimidothioate
CID 137436477
CID 59717690
CID 59717690
methyl N,N'-bis[(E)-3,3-dimethylbutan-2-ylideneamino]carbamimidothioate
CID 18528910
methyl N-(2-oxo-2-phenylacetyl)-N'-phenylcarbamimidothioate
CID 136680231

Frequently Asked Questions

What is the IUPAC name of methyl N,N'-diiodocarbamimidothioate?
The IUPAC name of methyl N,N'-diiodocarbamimidothioate (CID 163590093) is methyl N,N'-diiodocarbamimidothioate.
What is the SMILES notation for methyl N,N'-diiodocarbamimidothioate?
The canonical SMILES for methyl N,N'-diiodocarbamimidothioate is CSC(=NI)NI.
What is the InChIKey of methyl N,N'-diiodocarbamimidothioate?
The InChIKey is GOUFPOGQUAOPET-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H4I2N2S/c1-7-2(5-3)6-4/h1H3,(H,5,6).
What are the key properties of methyl N,N'-diiodocarbamimidothioate?
methyl N,N'-diiodocarbamimidothioate has a molecular weight of 341.94 g/mol, XLogP of 2.00, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N,N'-diiodocarbamimidothioate is sourced from PubChem (CID 163590093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).