CAS RN: 161557-60-4
6-Benzothiazolamine,N-methyl-(9CI)
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20251114 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS161557-60-4
- Purity/Analytical Methods: >99.0%
161557-60-4 / N-methyl-1,3-benzothiazol-6-amine
Basic Information
CAS
161557-60-4
Multi CAS
No
Molecular Formula
C8H8N2S
Molecular Weight
164.230000
Exact Mass
164.040819
SMILES
CNC1=CC2=C(C=C1)N=CS2
InChI
InChI=1S/C8H8N2S/c1-9-6-2-3-7-8(4-6)11-5-10-7/h2-5,9H,1H3
InChIKey
WKOVHZDMEIGOEL-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
9
Fraction Csp3
0.12
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
49.17
TPSA
24.92
LogP / Solubility
WLOGP
2.34
MLOGP
2.05
XLogP3
2
Consensus LogP
2.13
Log S (ESOL)
-2.87
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.59
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.79
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)
-2.06
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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