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.
1.1 at 68 °F (NTP, 1992) - Denser than water; will sink
1.1 g/cu cm at 20 °C/20 °C
Relative density (water = 1): 1.1
Physical Description
Sodium diethyldithiocarbamate appears as odorless white or slightly brown or slightly pink crystals. (NTP, 1992)
Crystals; [ICSC]
WHITE CRYSTALS.
Appearance
Crystals from ethanol
Yellow to green liquid at 20 °C and 1013 hPa (solution in water)
State
Solid
Storage Conditions
STORAGE PRECAUTIONS: You should store this material under ambient temperatures and keep it away from oxidizing materials. (NTP, 1992)
Dry. Well closed. Keep in a well-ventilated room. Store in an area without drain or sewer access.
Keep container tightly closed in a dry and well-ventilated place. Hygroscopic. Store under inert gas. /Sodium diethyldithiocarbamate trihydrate/
Computed Properties
Structural Parameters
Heavy atom count
9
Fraction Csp3
0.8
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
42.88
TPSA
3.24
LogP / Solubility
WLOGP
-1.84
MLOGP
-1.62
XLogP3
-1.84
Consensus LogP
-1.77
Log S (ESOL)
0.39
Class (ESOL)
Highly soluble
Log S (Ali)
0.36
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.51
Class (SILICOS-IT)
Highly soluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-5.07
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
Safety & Transport
Pictogram(s)
Irritant
Environmental Hazard
Signal
Warning
GHS Hazard Statements
H302 (71.2%): Harmful if swallowed [Warning Acute toxicity, oral]
H315 (16.7%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (13.6%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
H335 (10.6%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
H400 (43.9%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]