hydron;urea;sulfate

CH6N2O5S — CID 57450253

IUPAChydron;urea;sulfate
SMILESNC(N)=O.O=S(=O)([O-])[O-].[H+].[H+]
InChIInChI=1S/CH4N2O.H2O4S/c2-1(3)4;1-5(2,3)4/h(H4,2,3,4);(H2,1,2,3,4)
InChIKeySSBRSHIQIANGKS-UHFFFAOYSA-N
MW158.13 g/mol
LogP-2.09
Rot. Bonds

About hydron;urea;sulfate

hydron;urea;sulfate (PubChem CID 57450253) has the molecular formula CH6N2O5S and a molecular weight of 158.13 g/mol. Its IUPAC name is hydron;urea;sulfate.

Molecular Properties

Compound Namehydron;urea;sulfate
PubChem CID57450253
Molecular FormulaCH6N2O5S
Molecular Weight158.13 g/mol
Exact Mass158.00
IUPAC Namehydron;urea;sulfate
SMILESNC(N)=O.O=S(=O)([O-])[O-].[H+].[H+]
InChIInChI=1S/CH4N2O.H2O4S/c2-1(3)4;1-5(2,3)4/h(H4,2,3,4);(H2,1,2,3,4)
InChIKeySSBRSHIQIANGKS-UHFFFAOYSA-N
XLogP-2.09
TPSA149.37 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.13
LogP ≤ 5-2.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}, {'alert_name': 'sulphate', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of hydron;urea;sulfate?
The IUPAC name of hydron;urea;sulfate (CID 57450253) is hydron;urea;sulfate.
What is the SMILES notation for hydron;urea;sulfate?
The canonical SMILES for hydron;urea;sulfate is NC(N)=O.O=S(=O)([O-])[O-].[H+].[H+].
What is the InChIKey of hydron;urea;sulfate?
The InChIKey is SSBRSHIQIANGKS-UHFFFAOYSA-N. The full InChI is InChI=1S/CH4N2O.H2O4S/c2-1(3)4;1-5(2,3)4/h(H4,2,3,4);(H2,1,2,3,4).
What are the key properties of hydron;urea;sulfate?
hydron;urea;sulfate has a molecular weight of 158.13 g/mol, XLogP of -2.09, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for hydron;urea;sulfate is sourced from PubChem (CID 57450253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).