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CAS 24827-66-5 1-methyl-1,3-dihydrobenzo[c]isothiazole 2,2-dioxide molecular structure lightbox
CAS RN: 24827-66-5

1-methyl-1,3-dihydrobenzo[c]isothiazole 2,2-dioxide

  • Product code: SSC-119935
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 24827-66-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

24827-66-5 / 1-methyl-3H-2,1-benzothiazole 2,2-dioxide

Standard CAS: 24827-66-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
24827-66-5
Multi CAS
No
Molecular Formula
C8H9NO2S
Molecular Weight
183.230000
Exact Mass
183.035400
InChI
InChI=1S/C8H9NO2S/c1-9-8-5-3-2-4-7(8)6-12(9,10)11/h2-5H,6H2,1H3
InChIKey
YRSIGGJLDCPKJN-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.25
H-bond acceptors
2
Molar refractivity
47.47
TPSA
37.38

LogP / Solubility

WLOGP
0.97
MLOGP
0.85
XLogP3
0.6
Consensus LogP
0.81
Log S (ESOL)
-1.95
Class (ESOL)
Soluble
Log S (Ali)
-1.76
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.65
Class (SILICOS-IT)
Soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.15

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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