SMILES:

ClC1=CC=C(NC(=S)NNC(=O)CC#N)C=C1Cl
iKIX1 Chemical Structure
Chemical Structure
Check the iKIX1 product page for in-depth specifications, including solubility, stock solutions, MOA, and working concentrations.

Chemical Information

IUPAC Name 1-[(2-cyanoacetyl)amino]-3-(3,4-dichlorophenyl)thiourea
CAS Number 656222-54-7
Molecular Formula

C10H8Cl2N4OS
Molecular Weight (MW) 303.17
SMILES ClC1=CC=C(NC(=S)NNC(=O)CC#N)C=C1Cl
InChIKey XKQJVBSDCOCZFV-UHFFFAOYSA-N

How to Prepare Stock Solution?

Concentration Volume Mass
🧮 Molarity Calculator

Solubility

Batch:
All in vitro solubility values are batch-tested experimental data (non-literature values).
Solvent Solubility & Note
DMSO 61 mg/mL (201.2 mM)
(Moisture-contaminated DMSO may reduce solubility. Use fresh, anhydrous DMSO. The recommended stock concentration is 10 mM in DMSO.)
Ethanol 1 mg/mL
Water Insoluble
FAQ
Q: Why does a DMSO stock precipitate in media/saline?
A: It is caused by unheated aqueous media (supersaturation), local solvent shock, or incorrect mixing sequence.
How to fix it?
  • Preheat media/saline to 37°C.
  • Mix rapidly (pipette/vortex) upon addition.
  • For complex mixes, always add the aqueous phase last.
  • Re-dissolve minor precipitates with a 37°C water bath and sonication (≤30 min).

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Note: Technical data last updated: Sep 1, 2026.