chempirical

Acetaminophen sulfate

C8H9NO5SCAS 10066-90-7231.22 g/mol

Open in Covalent MOL file
OHNOSOOHO
Amide

Properties

Molecular formula
C8H9NO5S
Molar mass
231.22 g/mol
Exact mass
231.0201 Da
logP
0.83Crippen estimate
Polar surface area
92.7 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
3

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
10066-90-7
SMILES
CC(=O)NC1=CC=C(C=C1)OS(=O)(=O)O
InChIKey
IGTYILLPRJOVFY-UHFFFAOYSA-N
InChI
InChI=1S/C8H9NO5S/c1-6(10)9-7-2-4-8(5-3-7)14-15(11,12)13/h2-5H,1H3,(H,9,10)(H,11,12,13)

Weigh it out

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Names and synonyms

16 names · show all
  • (4-Acetamidophenyl) hydrogen sulfate
  • Paracetamol sulfate
  • Acetaminophen sulfate ester
  • N-Acetyl-4-aminophenol sulfate
  • N-(4-(Sulfooxy)phenyl)acetamide
  • 4-Acetamidophenyl hydrogen sulfate
  • Acetamide, N-(4-(sulfooxy)phenyl)-
  • Acetaminophen-sulfate
  • 4-Acetaminophen sulfate
  • Paracetamol sulphate
  • Acetaminophen sulphate
  • Acetaminophen sulphate ester
  • N-Acetyl-4-aminophenol sulphate
  • Acetaminophen sulfate (potassium salt)
  • Paracetamol-sulfate
  • Acetaminophen o-sulfate

Work with Acetaminophen sulfate

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

4-Acetamidophenylboronic acid101251-09-649 % similar 4-Acetaminobenzyl alcohol16375-88-549 % similar 4'-tert-Butylacetanilide20330-45-446 % similar 4'-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)acetanilide214360-60-843 % similar 4-Acetamidocinnamic acid7152-04-743 % similar 4-Acetamidophenylacetonitrile25025-06-342 % similar 4'-Acetamido-2'-methylacetophenone34956-31-542 % similar Sodium 4-acetamidobenzene-1-sulfinate15898-43-840 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

5-(Aminosulfonyl)-2-methoxybenzoic acid22117-85-7 N-Hydroxysuccinimide S-acetylthioacetate76931-93-6

Elsewhere

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