![CAS 1706440-01-8 2-Chloro-4-(methylthio)benzo[d]thiazole molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1706440-01-8.gif)
CAS RN: 1706440-01-8
2-Chloro-4-(methylthio)benzo[d]thiazole
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.20250818 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1706440-01-8
- Purity/Analytical Methods: >99.0%
1706440-01-8 / 2-chloro-4-methylsulfanyl-1,3-benzothiazole
Basic Information
CAS
1706440-01-8
Multi CAS
No
Molecular Formula
C8H6ClNS2
Molecular Weight
215.700000
Exact Mass
214.963019
SMILES
CSC1=CC=CC2=C1N=C(S2)Cl
InChI
InChI=1S/C8H6ClNS2/c1-11-5-3-2-4-6-7(5)10-8(9)12-6/h2-4H,1H3
InChIKey
DANGKSLAMORMIE-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
9
Fraction Csp3
0.12
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
56.41
TPSA
12.89
LogP / Solubility
WLOGP
3.67
MLOGP
3.23
XLogP3
3.9
Consensus LogP
3.6
Log S (ESOL)
-3.98
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.98
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.23
Class (SILICOS-IT)
Slightly 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)
-1.43
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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