chempirical

p-Amidinophenylmethanesulfonyl fluoride hydrochloride

C8H10ClFN2O2SCAS 74938-88-8252.69 g/mol

Open in Covalent MOL file
HClHNH2NSOOF
Amidine

Properties

Molecular formula
C8H10ClFN2O2S
Molar mass
252.69 g/mol
Exact mass
252.0136 Da
logP
1.19Crippen estimate
Polar surface area
84.0 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
3

Identifiers

CAS number
74938-88-8
SMILES
Cl.N=C(N)c1ccc(CS(=O)(=O)F)cc1
InChIKey
KHLLRHIUKOJXLL-UHFFFAOYSA-N
InChI
InChI=1S/C8H9FN2O2S.ClH/c9-14(12,13)5-6-1-3-7(4-2-6)8(10)11;/h1-4H,5H2,(H3,10,11);1H

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

3 names
  • Benzenemethanesulfonyl fluoride, 4-(aminoiminomethyl)-, hydrochloride (1:1)
  • Benzenemethanesulfonyl fluoride, 4-(aminoiminomethyl)-, monohydrochloride
  • APMSF

Work with p-Amidinophenylmethanesulfonyl fluoride hydrochloride

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-Fluorobenzamidine hydrochloride456-14-451 % similar p-Aminobenzamidine dihydrochloride2498-50-249 % similar 4-Chlorobenzamidine hydrochloride14401-51-547 % similar p-Hydroxybenzamidine monohydrochloride38148-63-947 % similar 4-Methylbenzamidine hydrochloride6326-27-847 % similar Benzamidine hydrochloride1670-14-047 % similar Pmsf329-98-647 % similar 4-Nitrobenzamidine hydrochloride15723-90-744 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook