ethyl 1-(2-iodosulfanylethoxymethyl)-5-methylimidazole-2-carboxylate

C10H15IN2O3S — CID 143568023

IUPACethyl 1-(2-iodosulfanylethoxymethyl)-5-methylimidazole-2-carboxylate
SMILESCCOC(=O)c1ncc(C)n1COCCSI
InChIInChI=1S/C10H15IN2O3S/c1-3-16-10(14)9-12-6-8(2)13(9)7-15-4-5-17-11/h6H,3-5,7H2,1-2H3
InChIKeyRHXDQJKEZZUVFP-UHFFFAOYSA-N
MW370.21 g/mol
LogP2.43
Rot. Bonds7

About ethyl 1-(2-iodosulfanylethoxymethyl)-5-methylimidazole-2-carboxylate

ethyl 1-(2-iodosulfanylethoxymethyl)-5-methylimidazole-2-carboxylate (PubChem CID 143568023) has the molecular formula C10H15IN2O3S and a molecular weight of 370.21 g/mol. Its IUPAC name is ethyl 1-(2-iodosulfanylethoxymethyl)-5-methylimidazole-2-carboxylate.

Molecular Properties

Compound Nameethyl 1-(2-iodosulfanylethoxymethyl)-5-methylimidazole-2-carboxylate
PubChem CID143568023
Molecular FormulaC10H15IN2O3S
Molecular Weight370.21 g/mol
Exact Mass369.98
IUPAC Nameethyl 1-(2-iodosulfanylethoxymethyl)-5-methylimidazole-2-carboxylate
SMILESCCOC(=O)c1ncc(C)n1COCCSI
InChIInChI=1S/C10H15IN2O3S/c1-3-16-10(14)9-12-6-8(2)13(9)7-15-4-5-17-11/h6H,3-5,7H2,1-2H3
InChIKeyRHXDQJKEZZUVFP-UHFFFAOYSA-N
XLogP2.43
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.21
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[2-ethoxycarbonyl-3-(2-trimethylsilylethoxymethyl)imidazol-4-yl]-2-oxoacetic acid
CID 177253844
ethyl 3-(ethoxymethyl)-2-methylimidazole-4-carboxylate
CID 134840870
diethyl imidazole-1,2-dicarboxylate
CID 23185165
ethyl 4-(3-ethoxypropyl)-5-methyl-1,2,4-triazole-3-carboxylate
CID 83231513
ethyl 2-(aminomethyl)-4,6-dimethylpyrimidine-5-carboxylate
CID 167715134
ethyl 4,5-dimethyl-1-(2-trimethylsilylethoxymethyl)pyrrole-2-carboxylate
CID 59180122
ethyl 4-ethoxy-1-(3-ethoxypropyl)-6-methylpyrazolo[3,4-b]pyridine-5-carboxylate
CID 54106645
ethyl 3,4-dichloro-7-methoxy-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-c]pyridine-2-carboxylate
CID 171623271
2-O-ethyl 4-O-(2-methylpropyl) 3-methylimidazole-2,4-dicarboxylate
CID 14913409
ethyl 4-methyl-2-(propoxymethyl)pyrimidine-5-carboxylate
CID 102972374
ethyl 4-amino-1-methylimidazole-2-carboxylate;hydrochloride
CID 22349687
ethyl 5-chloro-4-methylpyridine-2-carboxylate
CID 13481444

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(2-iodosulfanylethoxymethyl)-5-methylimidazole-2-carboxylate?
The IUPAC name of ethyl 1-(2-iodosulfanylethoxymethyl)-5-methylimidazole-2-carboxylate (CID 143568023) is ethyl 1-(2-iodosulfanylethoxymethyl)-5-methylimidazole-2-carboxylate.
What is the SMILES notation for ethyl 1-(2-iodosulfanylethoxymethyl)-5-methylimidazole-2-carboxylate?
The canonical SMILES for ethyl 1-(2-iodosulfanylethoxymethyl)-5-methylimidazole-2-carboxylate is CCOC(=O)c1ncc(C)n1COCCSI.
What is the InChIKey of ethyl 1-(2-iodosulfanylethoxymethyl)-5-methylimidazole-2-carboxylate?
The InChIKey is RHXDQJKEZZUVFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15IN2O3S/c1-3-16-10(14)9-12-6-8(2)13(9)7-15-4-5-17-11/h6H,3-5,7H2,1-2H3.
What are the key properties of ethyl 1-(2-iodosulfanylethoxymethyl)-5-methylimidazole-2-carboxylate?
ethyl 1-(2-iodosulfanylethoxymethyl)-5-methylimidazole-2-carboxylate has a molecular weight of 370.21 g/mol, XLogP of 2.43, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(2-iodosulfanylethoxymethyl)-5-methylimidazole-2-carboxylate is sourced from PubChem (CID 143568023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).