CAS RN: 29927-08-0
2-Amino-5,6-dimethylbenzothiazole
Product Availability
Choose a grade to view its available package options.
2 package records2 with current stock1 grade group
- Product code: SSC-133305
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: 25g
- Available purity: ≥97%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 25g | ≥97% | 0 Out of Stock | Beijing | Inquiry |
29927-08-0 / 5,6-dimethyl-1,3-benzothiazol-2-amine
Basic Information
CAS
29927-08-0
Multi CAS
No
Molecular Formula
C9H10N2S
Molecular Weight
178.260000
Exact Mass
178.056470
InChI
InChI=1S/C9H10N2S/c1-5-3-7-8(4-6(5)2)12-9(10)11-7/h3-4H,1-2H3,(H2,10,11)
InChIKey
IODWHFFPQHUDAG-UHFFFAOYSA-N
Physical Properties
Melting Point
365 to 372 °F (NTP, 1992)
Physical Description
2-amino-5,6-dimethylbenzothiazole is an off-white crystalline solid. (NTP, 1992)
State
Solid
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
9
Fraction Csp3
0.22
H-bond acceptors
3
H-bond donors
1
Molar refractivity
53.51
TPSA
38.91
LogP / Solubility
WLOGP
2.5
MLOGP
2.19
XLogP3
2.8
Consensus LogP
2.5
Log S (ESOL)
-3.07
Class (ESOL)
Poorly soluble
Log S (Ali)
-2.82
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.89
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)
-2.04
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
