CAS RN: 205181-84-6
2-Benzothiazolemethanol,6-methyl-(9CI)
Product Availability
Available package options are listed below.
1 package records0 with current stock
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260429 | 250mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS205181-84-6
- Purity/Analytical Methods: >99.0%
205181-84-6 / (6-methyl-1,3-benzothiazol-2-yl)methanol
Basic Information
CAS
205181-84-6
Multi CAS
No
Molecular Formula
C9H9NOS
Molecular Weight
179.240000
Exact Mass
179.040485
SMILES
CC1=CC2=C(C=C1)N=C(S2)CO
InChI
InChI=1S/C9H9NOS/c1-6-2-3-7-8(4-6)12-9(5-11)10-7/h2-4,11H,5H2,1H3
InChIKey
CESFIMXJNNTIAG-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
9
Fraction Csp3
0.22
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
50.28
TPSA
33.12
LogP / Solubility
WLOGP
2.1
MLOGP
1.84
XLogP3
1.9
Consensus LogP
1.95
Log S (ESOL)
-2.76
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.54
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.69
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)
-2.32
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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