Thiacloprid


PubChem CID 115224
Molecular Formula C10H9ClN4S
Structure Compound Image
Synonyms
Thiacloprid
111988-49-9
Calypso
(3-((6-Chloro-3-pyridinyl)methyl)-2-thiazolidinylidene)cyanamide
(Z)-thiacloprid
[3-[(6-chloropyridin-3-yl)methyl]-1,3-thiazolidin-2-ylidene]cyanamide
CHEMBL451432
DSV3A944A4
1119449-18-1
DTXSID7034961
CHEBI:39176
{(2Z)-3-[(6-chloropyridin-3-yl)methyl]-1,3-thiazolidin-2-ylidene}cyanamide
[3-(6-Chloro-3-pyridinylmethyl)-2-thiazolidinylidene]cyanamide
{3-[(6-chloropyridin-3-yl)methyl]-1,3-thiazolidin-2-ylidene}cyanamide
Cyanamide, [3-[(6-chloro-3-pyridinyl)methyl]-2-thiazolidinylidene]-
({3-[(6-chloropyridin-3-yl)methyl]-1,3-thiazolidin-2-ylidene}amino)formonitrile
Calypso 70WG
[3-[(6-chloro-3-pyridinyl)methyl]-2-thiazolidinylidene]cyanamide
Thiacloprid [ISO:BSI]
(Z)-3-(6-chloro-3-pyridylmethyl)-1,3-thiazolidin-2-ylidenecyanamide
Cyanamide, (3-((6-chloro-3-pyridinyl)methyl)-2-thiazolidinylidene)-
N-(3-((6-Chloropyridin-3-yl)methyl)thiazolidin-2-ylidene)cyanamide
HSDB 7268
UNII-DSV3A944A4
(E)-thiacloprid
THIACLOPRID [MI]
THIACLOPRID [ISO]
THIACLOPRID [HSDB]
SCHEMBL26490
SCHEMBL26491
SCHEMBL237347
DTXCID5014961
CHEBI:39175
DTXSID60861210
3c84
HOKKPVIRMVDYPB-UHFFFAOYSA-N
HOKKPVIRMVDYPB-UVTDQMKNSA-N
3-((6-chloro-3-pyridinyl)methyl)-2-thiazolidinylidene cyanamide
HY-B1953
Tox21_300697
BDBM50251868
MFCD09028056
AKOS015897524
DB08620
NCGC00164441-01
NCGC00164441-02
NCGC00164441-03
NCGC00164441-04
NCGC00254605-01
1ST20335
AS-35094
Thiacloprid 10 microg/mL in Acetonitrile
DB-017476
CAS-111988-49-9
CS-0014056
NS00000448
T2967
C18512
Thiacloprid, PESTANAL(R), analytical standard
A802461
EN300-11689967
Q416283
J-002682
Q63408702
Thiacloprid, certified reference material, TraceCERT(R)
Z2044749895
(E)-N-(3-((6-chloropyridin-3-yl)methyl)thiazolidin-2-ylidene)cyanamide
[3-[(6-chloranylpyridin-3-yl)methyl]-1,3-thiazolidin-2-ylidene]cyanamide
N-(3-(6-chloro-pyridin-3-ylmethyl)-thiazolidin-2-ylidene)-cyanamide
(Z)-(3-((6-CHLORO-3-PYRIDINYL)METHYL)-2-THIAZOLIDINYLIDENE)CYANAMIDE

Computed Descriptors


IUPAC Name [3-[(6-chloropyridin-3-yl)methyl]-1,3-thiazolidin-2-ylidene]cyanamide
SMILES C1CSC(=NC#N)N1CC2=CN=C(C=C2)Cl
Canonical SMILES C1CSC(=NC#N)N1CC2=CN=C(C=C2)Cl
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
InChIKey HOKKPVIRMVDYPB-UHFFFAOYSA-N

Computed Properties

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Molecular Weight 252.72 g/mol
XLogP3 2.2
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 2
Exact Mass 252.024
Monoisotopic Mass 252.024
Topological Polar Surface Area 77.6
Heavy Atom Count 16
Formal Charge 0
Complexity 324
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1

Annotation

  • D010575 - Pesticides
  • D007306 - Insecticides
  • D000073943 - Neonicotinoids|D016573 - Agrochemicals
  • 9 pairs of Verified P450 and Thiacloprid


    Insect Gene Symbol Validation Reference
    Aphis gossypii CYP6CY13 X
    Aphis gossypii CYP6CY22 X
    Apis mellifera CYP9Q3 D,X
    Bombus terrestris CYP9Q4 D,X
    Bombus terrestris CYP9Q5 D,X
    Myzus persicae CYP6CY3 R
    Nilaparvata lugens CYP6ER1 E
    Osmia bicornis CYP9BU1 X
    Osmia bicornis CYP9BU2 X