formonitrile;phenol;sulfuric acid

C7H9NO5S — CID 174705833

IUPACformonitrile;phenol;sulfuric acid
SMILESC#N.O=S(=O)(O)O.Oc1ccccc1
InChIInChI=1S/C6H6O.CHN.H2O4S/c7-6-4-2-1-3-5-6;1-2;1-5(2,3)4/h1-5,7H;1H;(H2,1,2,3,4)
InChIKeyKSXHCJUWLBSUIU-UHFFFAOYSA-N
MW219.22 g/mol
LogP0.88
Rot. Bonds

About formonitrile;phenol;sulfuric acid

formonitrile;phenol;sulfuric acid (PubChem CID 174705833) has the molecular formula C7H9NO5S and a molecular weight of 219.22 g/mol. Its IUPAC name is formonitrile;phenol;sulfuric acid.

Molecular Properties

Compound Nameformonitrile;phenol;sulfuric acid
PubChem CID174705833
Molecular FormulaC7H9NO5S
Molecular Weight219.22 g/mol
Exact Mass219.02
IUPAC Nameformonitrile;phenol;sulfuric acid
SMILESC#N.O=S(=O)(O)O.Oc1ccccc1
InChIInChI=1S/C6H6O.CHN.H2O4S/c7-6-4-2-1-3-5-6;1-2;1-5(2,3)4/h1-5,7H;1H;(H2,1,2,3,4)
InChIKeyKSXHCJUWLBSUIU-UHFFFAOYSA-N
XLogP0.88
TPSA118.62 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.22
LogP ≤ 50.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

phenol;sulfamic acid
CID 20568806
ethane-1,2-diamine;phenol;sulfuric acid
CID 70504125
CID 11441475
CID 11441475
molecular oxygen;phenol
CID 141080591
methyl hydrogen sulfate;phenol
CID 174688864
1-chloropropan-2-one;phenol;sulfuric acid
CID 19695104
CID 159904044
CID 159904044
aluminum phenol
CID 19023057
phenol;phosphane
CID 159689182
molybdenum;phenol
CID 154246724
argon;phenol
CID 159678450
phenol;tantalum
CID 19915613

Frequently Asked Questions

What is the IUPAC name of formonitrile;phenol;sulfuric acid?
The IUPAC name of formonitrile;phenol;sulfuric acid (CID 174705833) is formonitrile;phenol;sulfuric acid.
What is the SMILES notation for formonitrile;phenol;sulfuric acid?
The canonical SMILES for formonitrile;phenol;sulfuric acid is C#N.O=S(=O)(O)O.Oc1ccccc1.
What is the InChIKey of formonitrile;phenol;sulfuric acid?
The InChIKey is KSXHCJUWLBSUIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6O.CHN.H2O4S/c7-6-4-2-1-3-5-6;1-2;1-5(2,3)4/h1-5,7H;1H;(H2,1,2,3,4).
What are the key properties of formonitrile;phenol;sulfuric acid?
formonitrile;phenol;sulfuric acid has a molecular weight of 219.22 g/mol, XLogP of 0.88, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for formonitrile;phenol;sulfuric acid is sourced from PubChem (CID 174705833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).