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CAS 111988-49-9 Thiacloprid molecular structure lightbox
CAS RN: 111988-49-9

Thiacloprid

Product Availability

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4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250614 1g In stock Shanghai, Tianjin Inquiry
Batchno.20250805 250mg In stock Shanghai, Shenzhen, Tianjin Inquiry
Batchno.20260207 25g In stock Shanghai Inquiry
Batchno.20251213 5g In stock Shanghai Inquiry
  • Product code: SSC-012448
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ≥96%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 111988-49-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥96% 0 Out of Stock Shenzhen Inquiry

111988-49-9 / [3-[(6-chloro-3-pyridinyl)methyl]-1,3-thiazolidin-2-ylidene]cyanamide

[3-[(6-chloropyridin-3-yl)methyl]-1,3-thiazolidin-2-ylidene]cyanamide | DTXSID60861210 | {3-[(6-chloropyridin-3-yl)methyl]-1,3-thiazolidin-2-ylidene}cyanamide

Standard CAS: 111988-49-9 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
111988-49-9
Multi CAS
No
Molecular Formula
C10H9ClN4S
Molecular Weight
252.720000
Exact Mass
252.023645
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
Synonyms
[3-[(6-chloropyridin-3-yl)methyl]-1,3-thiazolidin-2-ylidene]cyanamide DTXSID60861210 {3-[(6-chloropyridin-3-yl)methyl]-1,3-thiazolidin-2-ylidene}cyanamide (3-((6-chloropyridin-3-yl)methyl)-1,3-thiazolidin-2-ylidene)cyanamide RefChem:1050072

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.3
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
65.16
TPSA
52.28

LogP / Solubility

WLOGP
2.12
MLOGP
1.87
XLogP3
2.2
Consensus LogP
2.06
Log S (ESOL)
-2.89
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.16
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.3
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.76

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5

Safety & Transport

Pictogram(s)
Acute Toxic Irritant Health Hazard Environmental Hazard
Signal
Danger
GHS Hazard Statements
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral] H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation] H336 (100%): May cause drowsiness or dizziness [Warning Specific target organ toxicity, single exposure; Narcotic effects] H351 (100%): Suspected of causing cancer [Warning Carcinogenicity] H400 (100%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]
Precautionary Statement Codes
P203, P261, P264, P270, P271, P273, P280, P301+P316, P304+P340, P317, P318, P319, P321, P330, P391, P403+P233, P405, and P501

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