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CAS 196205-20-6 6-Benzothiazolamine,7-methyl-(9CI) molecular structure lightbox
CAS RN: 196205-20-6

6-Benzothiazolamine,7-methyl-(9CI)

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251211 1g Out of stock 15 business days Inquiry
  • Product code: starshine_CAS196205-20-6
  • Purity/Analytical Methods: >99.0%
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196205-20-6 / 7-methyl-1,3-benzothiazol-6-amine

Standard CAS: 196205-20-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
196205-20-6
Multi CAS
No
Molecular Formula
C8H8N2S
Molecular Weight
164.230000
Exact Mass
164.040819
SMILES
CC1=C(C=CC2=C1SC=N2)N
InChI
InChI=1S/C8H8N2S/c1-5-6(9)2-3-7-8(5)11-4-10-7/h2-4H,9H2,1H3
InChIKey
MWFHUUYNKQVJDU-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
9
Fraction Csp3
0.12
H-bond acceptors
3
H-bond donors
1
Molar refractivity
48.77
TPSA
38.91

LogP / Solubility

WLOGP
2.19
MLOGP
1.92
XLogP3
2.1
Consensus LogP
2.07
Log S (ESOL)
-2.84
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.49
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.54
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)
-2.17

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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