imidazol-1-ylmethyl methyl sulfate

C5H8N2O4S — CID 134349916

IUPACimidazol-1-ylmethyl methyl sulfate
SMILESCOS(=O)(=O)OCn1ccnc1
InChIInChI=1S/C5H8N2O4S/c1-10-12(8,9)11-5-7-3-2-6-4-7/h2-4H,5H2,1H3
InChIKeyXFVSGZAHBATNAD-UHFFFAOYSA-N
MW192.20 g/mol
LogP-0.25
Rot. Bonds4

About imidazol-1-ylmethyl methyl sulfate

imidazol-1-ylmethyl methyl sulfate (PubChem CID 134349916) has the molecular formula C5H8N2O4S and a molecular weight of 192.20 g/mol. Its IUPAC name is imidazol-1-ylmethyl methyl sulfate.

Molecular Properties

Compound Nameimidazol-1-ylmethyl methyl sulfate
PubChem CID134349916
Molecular FormulaC5H8N2O4S
Molecular Weight192.20 g/mol
Exact Mass192.02
IUPAC Nameimidazol-1-ylmethyl methyl sulfate
SMILESCOS(=O)(=O)OCn1ccnc1
InChIInChI=1S/C5H8N2O4S/c1-10-12(8,9)11-5-7-3-2-6-4-7/h2-4H,5H2,1H3
InChIKeyXFVSGZAHBATNAD-UHFFFAOYSA-N
XLogP-0.25
TPSA70.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.20
LogP ≤ 5-0.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethane;1-(methoxymethyl)imidazole
CID 91425375
2-(imidazol-1-ylmethoxy)ethyl-trimethylsilane
CID 11052605
1-(dodecoxymethyl)imidazole
CID 102264585
ethyl 2-(imidazol-1-ylmethoxy)acetate
CID 154632342
1-[(4-methylphenoxy)methyl]imidazole
CID 15555875
1-(2-methoxyethyl)imidazole
CID 14366840
bis(1-propylimidazole);sulfuric acid
CID 86038795
1-(imidazol-1-ylmethoxy)ethyl-trimethylsilane
CID 19348104
1-(2,2-dimethoxyethyl)imidazole
CID 12922722
1-ethylimidazole;hydroiodide
CID 66751695
copper;1-ethylimidazole
CID 118057388
4-imidazol-1-ylbutane-1-sulfonic acid;sulfuric acid
CID 175825454

Frequently Asked Questions

What is the IUPAC name of imidazol-1-ylmethyl methyl sulfate?
The IUPAC name of imidazol-1-ylmethyl methyl sulfate (CID 134349916) is imidazol-1-ylmethyl methyl sulfate.
What is the SMILES notation for imidazol-1-ylmethyl methyl sulfate?
The canonical SMILES for imidazol-1-ylmethyl methyl sulfate is COS(=O)(=O)OCn1ccnc1.
What is the InChIKey of imidazol-1-ylmethyl methyl sulfate?
The InChIKey is XFVSGZAHBATNAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2O4S/c1-10-12(8,9)11-5-7-3-2-6-4-7/h2-4H,5H2,1H3.
What are the key properties of imidazol-1-ylmethyl methyl sulfate?
imidazol-1-ylmethyl methyl sulfate has a molecular weight of 192.20 g/mol, XLogP of -0.25, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for imidazol-1-ylmethyl methyl sulfate is sourced from PubChem (CID 134349916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).