chempirical

Thiacloprid

C10H9ClN4SCAS 111988-49-9252.72 g/mol

Open in Covalent MOL file
NNSNClN
Aryl halideNitrileSulfide

Properties

Molecular formula
C10H9ClN4S
Molar mass
252.72 g/mol
Exact mass
252.0236 Da
Melting point
128–129 °C
logP
2.12Crippen estimate
Polar surface area
52.3 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
2

Identifiers

CAS number
111988-49-9
SMILES
N#C/N=C1SCCN1Cc1ccc(Cl)nc1
InChIKey
HOKKPVIRMVDYPB-UVTDQMKNSA-N
InChI
InChI=1S/C10H9ClN4S/c11-9-2-1-8(5-13-9)6-15-3-4-16-10(15)14-7-12/h1-2,5H,3-4,6H2/b14-10-

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Names and synonyms

12 names
  • Cyanamide, N-[3-[(6-chloro-3-pyridinyl)methyl]-2-thiazolidinylidene]-, [N(Z)]-
  • Cyanamide, [3-[(6-chloro-3-pyridinyl)methyl]-2-thiazolidinylidene]-, [N(Z)]-
  • [N(Z)]-N-[3-[(6-Chloro-3-pyridinyl)methyl]-2-thiazolidinylidene]cyanamide
  • Calypso
  • Calypso 70WG
  • Calypso (pesticide)
  • Biscaya
  • Calypso ultra
  • Bariard
  • Calypso 4F
  • Calypso 480SC
  • Sonido

Work with Thiacloprid

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

Acetamiprid135410-20-755 % similar N-[(6-Chloro-3-pyridinyl)methyl]-N′-cyano-N-methylethanimidamide160430-64-855 % similar 6-Chloro-3-pyridineacetonitrile39891-09-345 % similar 1-[(6-Chloro-3-pyridinyl)methyl]-4,5-dihydro-N-nitro-1H-imidazol-2-amine105827-78-943 % similar Imidacloprid138261-41-343 % similar 2-Chloro-5-(chloromethyl)pyridine70258-18-336 % similar 6-Chloronicotinonitrile33252-28-735 % similar 6-Chloro-3-pyridinemethanamine97004-04-135 % similar

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

Elsewhere

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