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CAS 97050-36-7 1,2-Benzisothiazol-6-amine(9CI) molecular structure lightbox
CAS RN: 97050-36-7

1,2-Benzisothiazol-6-amine(9CI)

  • Product code: SSC-212200
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.25g, 1g, 0.1g
  • Available purity: >95%
  • Inventory rows with stock: 3
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 97050-36-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g >95% 2 In Stock Shanghai Inquiry
1g >95% 2 In Stock Shanghai Inquiry
0.1g >95% 1 In Stock Shenzhen Inquiry

97050-36-7 / 1,2-benzothiazol-6-amine

Standard CAS: 97050-36-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
97050-36-7
Multi CAS
Yes
Molecular Formula
C7H6N2S
Molecular Weight
150.200000
Exact Mass
150.025169
InChI
InChI=1S/C7H6N2S/c8-6-2-1-5-4-9-10-7(5)3-6/h1-4H,8H2
InChIKey
SFJKMYTWPTTZOS-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
9
H-bond acceptors
3
H-bond donors
1
Molar refractivity
44.03
TPSA
38.91

LogP / Solubility

WLOGP
1.88
MLOGP
1.65
XLogP3
1.6
Consensus LogP
1.71
Log S (ESOL)
-2.62
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.15
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.2
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)
-2.3

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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