0.5 (NTP, 1992) - Less dense than water; will float
Physical Description
2-aminobenzothiazole is an odorless gray to white powder. (NTP, 1992)
Gray to white odorless solid; [CAMEO] Off-white crystalline powder
Appearance
PLATES FROM WATER
LEAFLETS FROM WATER
State
Solid
Storage Conditions
STORAGE PRECAUTIONS: You should store this material under ambient temperatures. (NTP, 1992)
Computed Properties
Structural Parameters
Heavy atom count
10
Aromatic heavy atom count
9
H-bond acceptors
3
H-bond donors
1
Molar refractivity
44.03
TPSA
38.91
LogP / Solubility
WLOGP
1.88
MLOGP
1.65
XLogP3
1.9
Consensus LogP
1.81
Log S (ESOL)
-2.62
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.15
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.2
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.3
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Safety & Transport
Pictogram(s)
Irritant
Environmental Hazard
Signal
Warning
GHS Hazard Statements
H302 (97.1%): Harmful if swallowed [Warning Acute toxicity, oral]
H319 (79.6%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
H400 (17.5%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]
H410 (17.5%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]