guanidine;sulfuric acid;urea

C2H11N5O5S — CID 87661004

IUPACguanidine;sulfuric acid;urea
SMILESNC(N)=O.O=S(=O)(O)O.[H]N=C(N)N
InChIInChI=1S/CH5N3.CH4N2O.H2O4S/c2*2-1(3)4;1-5(2,3)4/h(H5,2,3,4);(H4,2,3,4);(H2,1,2,3,4)
InChIKeyNFAHIVVSZWFSKS-UHFFFAOYSA-N
MW217.21 g/mol
LogP-2.79
Rot. Bonds

About guanidine;sulfuric acid;urea

guanidine;sulfuric acid;urea (PubChem CID 87661004) has the molecular formula C2H11N5O5S and a molecular weight of 217.21 g/mol. Its IUPAC name is guanidine;sulfuric acid;urea.

Molecular Properties

Compound Nameguanidine;sulfuric acid;urea
PubChem CID87661004
Molecular FormulaC2H11N5O5S
Molecular Weight217.21 g/mol
Exact Mass217.05
IUPAC Nameguanidine;sulfuric acid;urea
SMILESNC(N)=O.O=S(=O)(O)O.[H]N=C(N)N
InChIInChI=1S/CH5N3.CH4N2O.H2O4S/c2*2-1(3)4;1-5(2,3)4/h(H5,2,3,4);(H4,2,3,4);(H2,1,2,3,4)
InChIKeyNFAHIVVSZWFSKS-UHFFFAOYSA-N
XLogP-2.79
TPSA219.60 Ų
H-Bond Donors7
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500217.21
LogP ≤ 5-2.79
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of guanidine;sulfuric acid;urea?
The IUPAC name of guanidine;sulfuric acid;urea (CID 87661004) is guanidine;sulfuric acid;urea.
What is the SMILES notation for guanidine;sulfuric acid;urea?
The canonical SMILES for guanidine;sulfuric acid;urea is NC(N)=O.O=S(=O)(O)O.[H]N=C(N)N.
What is the InChIKey of guanidine;sulfuric acid;urea?
The InChIKey is NFAHIVVSZWFSKS-UHFFFAOYSA-N. The full InChI is InChI=1S/CH5N3.CH4N2O.H2O4S/c2*2-1(3)4;1-5(2,3)4/h(H5,2,3,4);(H4,2,3,4);(H2,1,2,3,4).
What are the key properties of guanidine;sulfuric acid;urea?
guanidine;sulfuric acid;urea has a molecular weight of 217.21 g/mol, XLogP of -2.79, 0 rotatable bonds, 7 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for guanidine;sulfuric acid;urea is sourced from PubChem (CID 87661004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).