chempirical

Anilofos

C13H19ClNO3PS2CAS 64249-01-0367.84 g/mol

Open in Covalent MOL file
OPSOSONCl
AmideAryl halide

Properties

Molecular formula
C13H19ClNO3PS2
Molar mass
367.84 g/mol
Exact mass
367.0233 Da
Melting point
51 °C
logP
4.33Crippen estimate
Polar surface area
38.8 Ų
H-bond donors / acceptors
0 / 5
Rotatable bonds
7

Hazards

Warning
Irritant (GHS07)

Aggregated from 39 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P270, P301+P317, P330, P501

Identifiers

CAS number
64249-01-0
SMILES
COP(=S)(OC)SCC(=O)N(c1ccc(Cl)cc1)C(C)C
InChIKey
NXQDBZGWYSEGFL-UHFFFAOYSA-N
InChI
InChI=1S/C13H19ClNO3PS2/c1-10(2)15(12-7-5-11(14)6-8-12)13(16)9-21-19(20,17-3)18-4/h5-8,10H,9H2,1-4H3

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Names and synonyms

7 names
  • Phosphorodithioic acid, S-[2-[(4-chlorophenyl)(1-methylethyl)amino]-2-oxoethyl] O,O-dimethyl ester
  • HOE 30374
  • HOE 574
  • Arozin
  • Aniloguard
  • Aniloguard 30EC
  • Shabailin

Work with Anilofos

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

Methyl trithion953-17-347 % similar Formothion2540-82-145 % similar Phosmet732-11-639 % similar Propachlor1918-16-739 % similar Dimethoate60-51-534 % similar Carbophenothion786-19-633 % similar 1-(4-Chlorophenyl)-3-methyl-5-pyrazolone13024-90-332 % similar 1-[(4-Chlorophenyl)thio]-2-propanone25784-83-232 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook