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CAS 64036-71-1 2-Benzothiazolamine,4,6-dimethyl-(9CI) molecular structure lightbox
CAS RN: 64036-71-1

2-Benzothiazolamine,4,6-dimethyl-(9CI)

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3 package records3 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20251230 1g In stock Inquiry
Batchno.20251029 250mg In stock Inquiry
Batchno.20250720 50mg In stock Inquiry
  • Product code: starshine_CAS64036-71-1
  • Purity/Analytical Methods: >99.0%
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64036-71-1 / 4,6-dimethyl-1,3-benzothiazol-2-amine

Standard CAS: 64036-71-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
64036-71-1
Multi CAS
No
Molecular Formula
C9H10N2S
Molecular Weight
178.260000
Exact Mass
178.056470
InChI
InChI=1S/C9H10N2S/c1-5-3-6(2)8-7(4-5)12-9(10)11-8/h3-4H,1-2H3,(H2,10,11)
InChIKey
JJNKKYPHNWIYFW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
9
Fraction Csp3
0.22
H-bond acceptors
3
H-bond donors
1
Molar refractivity
53.51
TPSA
38.91

LogP / Solubility

WLOGP
2.5
MLOGP
2.19
XLogP3
2.8
Consensus LogP
2.5
Log S (ESOL)
-3.07
Class (ESOL)
Poorly soluble
Log S (Ali)
-2.82
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.89
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)
-2.04

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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