alumane;sulfuric acid;urea

CH9AlN2O5S — CID 173346589

IUPACalumane;sulfuric acid;urea
SMILESNC(N)=O.O=S(=O)(O)O.[AlH3]
InChIInChI=1S/CH4N2O.Al.H2O4S.3H/c2-1(3)4;;1-5(2,3)4;;;/h(H4,2,3,4);;(H2,1,2,3,4);;;
InChIKeyFQRMVRXJLLXEJN-UHFFFAOYSA-N
MW188.14 g/mol
LogP-2.81
Rot. Bonds

About alumane;sulfuric acid;urea

alumane;sulfuric acid;urea (PubChem CID 173346589) has the molecular formula CH9AlN2O5S and a molecular weight of 188.14 g/mol. Its IUPAC name is alumane;sulfuric acid;urea.

Molecular Properties

Compound Namealumane;sulfuric acid;urea
PubChem CID173346589
Molecular FormulaCH9AlN2O5S
Molecular Weight188.14 g/mol
Exact Mass188.00
IUPAC Namealumane;sulfuric acid;urea
SMILESNC(N)=O.O=S(=O)(O)O.[AlH3]
InChIInChI=1S/CH4N2O.Al.H2O4S.3H/c2-1(3)4;;1-5(2,3)4;;;/h(H4,2,3,4);;(H2,1,2,3,4);;;
InChIKeyFQRMVRXJLLXEJN-UHFFFAOYSA-N
XLogP-2.81
TPSA143.71 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.14
LogP ≤ 5-2.81
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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 alumane;sulfuric acid;urea?
The IUPAC name of alumane;sulfuric acid;urea (CID 173346589) is alumane;sulfuric acid;urea.
What is the SMILES notation for alumane;sulfuric acid;urea?
The canonical SMILES for alumane;sulfuric acid;urea is NC(N)=O.O=S(=O)(O)O.[AlH3].
What is the InChIKey of alumane;sulfuric acid;urea?
The InChIKey is FQRMVRXJLLXEJN-UHFFFAOYSA-N. The full InChI is InChI=1S/CH4N2O.Al.H2O4S.3H/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 alumane;sulfuric acid;urea?
alumane;sulfuric acid;urea has a molecular weight of 188.14 g/mol, XLogP of -2.81, 0 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for alumane;sulfuric acid;urea is sourced from PubChem (CID 173346589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).