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CAS 1333262-65-9 6-bromo-1-methyl-1,3-dihydrobenzo[c][1,2,5]thiadiazole 2,2-dioxide molecular structure lightbox
CAS RN: 1333262-65-9

6-bromo-1-methyl-1,3-dihydrobenzo[c][1,2,5]thiadiazole 2,2-dioxide

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250202 100mg Out of stock 8-10 business days Inquiry
  • Product code: SSC-040013
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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: 0.25g
  • Available purity: ≥97%
  • 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 1333262-65-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥97% 0 Out of Stock Shenzhen Inquiry

1333262-65-9 / 5-bromo-3-methyl-1H-2lambda6,1,3-benzothiadiazole 2,2-dioxide

Standard CAS: 1333262-65-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1333262-65-9
Multi CAS
No
Molecular Formula
C7H7BrN2O2S
Molecular Weight
263.110000
Exact Mass
261.941160
SMILES
CN1C2=C(C=CC(=C2)Br)NS1(=O)=O
InChI
InChI=1S/C7H7BrN2O2S/c1-10-7-4-5(8)2-3-6(7)9-13(10,11)12/h2-4,9H,1H3
InChIKey
ZCWOEEDQKXMJSG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.14
H-bond acceptors
2
H-bond donors
1
Molar refractivity
55.09
TPSA
49.41

LogP / Solubility

WLOGP
1.56
MLOGP
1.38
XLogP3
1.1
Consensus LogP
1.35
Log S (ESOL)
-2.79
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.84
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.66
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.22

Drug-likeness / Medicinal Chemistry

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

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