bis(4,5-dihydroimidazol-1-yl) sulfate

C6H10N4O4S — CID 87891329

IUPACbis(4,5-dihydroimidazol-1-yl) sulfate
SMILESO=S(=O)(ON1C=NCC1)ON1C=NCC1
InChIInChI=1S/C6H10N4O4S/c11-15(12,13-9-3-1-7-5-9)14-10-4-2-8-6-10/h5-6H,1-4H2
InChIKeyHRBQJSCGKBCZRF-UHFFFAOYSA-N
MW234.24 g/mol
LogP-1.22
Rot. Bonds4

About bis(4,5-dihydroimidazol-1-yl) sulfate

bis(4,5-dihydroimidazol-1-yl) sulfate (PubChem CID 87891329) has the molecular formula C6H10N4O4S and a molecular weight of 234.24 g/mol. Its IUPAC name is bis(4,5-dihydroimidazol-1-yl) sulfate.

Molecular Properties

Compound Namebis(4,5-dihydroimidazol-1-yl) sulfate
PubChem CID87891329
Molecular FormulaC6H10N4O4S
Molecular Weight234.24 g/mol
Exact Mass234.04
IUPAC Namebis(4,5-dihydroimidazol-1-yl) sulfate
SMILESO=S(=O)(ON1C=NCC1)ON1C=NCC1
InChIInChI=1S/C6H10N4O4S/c11-15(12,13-9-3-1-7-5-9)14-10-4-2-8-6-10/h5-6H,1-4H2
InChIKeyHRBQJSCGKBCZRF-UHFFFAOYSA-N
XLogP-1.22
TPSA83.80 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.24
LogP ≤ 5-1.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of bis(4,5-dihydroimidazol-1-yl) sulfate?
The IUPAC name of bis(4,5-dihydroimidazol-1-yl) sulfate (CID 87891329) is bis(4,5-dihydroimidazol-1-yl) sulfate.
What is the SMILES notation for bis(4,5-dihydroimidazol-1-yl) sulfate?
The canonical SMILES for bis(4,5-dihydroimidazol-1-yl) sulfate is O=S(=O)(ON1C=NCC1)ON1C=NCC1.
What is the InChIKey of bis(4,5-dihydroimidazol-1-yl) sulfate?
The InChIKey is HRBQJSCGKBCZRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N4O4S/c11-15(12,13-9-3-1-7-5-9)14-10-4-2-8-6-10/h5-6H,1-4H2.
What are the key properties of bis(4,5-dihydroimidazol-1-yl) sulfate?
bis(4,5-dihydroimidazol-1-yl) sulfate has a molecular weight of 234.24 g/mol, XLogP of -1.22, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4,5-dihydroimidazol-1-yl) sulfate is sourced from PubChem (CID 87891329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).