CAS RN: 7170-77-6
2-AMINO-6-THIOCYANOBENZOTHIAZOLE
Product Availability
Choose a grade to view its available package options.
5 package records5 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260106 | 1g / 5g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS7170-77-6
- Purity/Analytical Methods: >99.0%
7170-77-6 / (2-amino-1,3-benzothiazol-6-yl) thiocyanate
Basic Information
CAS
7170-77-6
Multi CAS
Yes
Molecular Formula
C8H5N3S2
Molecular Weight
207.300000
Exact Mass
206.992490
InChI
InChI=1S/C8H5N3S2/c9-4-12-5-1-2-6-7(3-5)13-8(10)11-6/h1-3H,(H2,10,11)
InChIKey
FVNSRFMQXKMHTQ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
9
Rotatable bonds
1
H-bond acceptors
5
H-bond donors
1
Molar refractivity
55.5
TPSA
62.7
LogP / Solubility
WLOGP
2.45
MLOGP
2.16
XLogP3
2.6
Consensus LogP
2.4
Log S (ESOL)
-3.12
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.03
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.16
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.24
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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