CAS RN: 59813-89-7
2-ETHYLSULFANYL-BENZOTHIAZOL-6-YLAMINE
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.20260531 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS59813-89-7
- Purity/Analytical Methods: >99.0%
59813-89-7 / 2-ethylsulfanyl-1,3-benzothiazol-6-amine
Basic Information
CAS
59813-89-7
Multi CAS
No
Molecular Formula
C9H10N2S2
Molecular Weight
210.300000
Exact Mass
210.028541
InChI
InChI=1S/C9H10N2S2/c1-2-12-9-11-7-4-3-6(10)5-8(7)13-9/h3-5H,2,10H2,1H3
InChIKey
TUMCWFMHZOUPDA-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
9
Fraction Csp3
0.22
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
60.43
TPSA
38.91
LogP / Solubility
WLOGP
2.99
MLOGP
2.63
XLogP3
2.8
Consensus LogP
2.81
Log S (ESOL)
-3.41
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.44
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.75
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)
-1.88
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
