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CAS 110704-32-0 7-BROMO-2-METHYLBENZOTHIAZOLE molecular structure lightbox
CAS RN: 110704-32-0

7-BROMO-2-METHYLBENZOTHIAZOLE

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250301 100mg / 250mg Out of stock 8-10 business days Inquiry
  • Product code: SSC-011671
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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 110704-32-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

110704-32-0 / 7-bromo-2-methyl-1,3-benzothiazole

7-bromo-2-methylbenzo[d]thiazole | 7-BROMO-2-METHYLBENZOTHIAZOLE | 7-Bromo-2-methyl-1,3-benzothiazole

Standard CAS: 110704-32-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
110704-32-0
Multi CAS
No
Molecular Formula
C8H6BrNS
Molecular Weight
228.110000
Exact Mass
226.940430
SMILES
CC1=NC2=C(S1)C(=CC=C2)Br
InChI
InChI=1S/C8H6BrNS/c1-5-10-7-4-2-3-6(9)8(7)11-5/h2-4H,1H3
InChIKey
KSKLNTXDNWKVPA-UHFFFAOYSA-N
Synonyms
7-bromo-2-methylbenzo[d]thiazole 7-BROMO-2-METHYLBENZOTHIAZOLE 7-Bromo-2-methyl-1,3-benzothiazole MFCD11217386 Benzothiazole, 7-bromo-2-methyl-

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
9
Fraction Csp3
0.12
H-bond acceptors
2
Molar refractivity
52.06
TPSA
12.89

LogP / Solubility

WLOGP
3.37
MLOGP
2.97
XLogP3
3.5
Consensus LogP
3.28
Log S (ESOL)
-3.98
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.86
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.94
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.72

Drug-likeness / Medicinal Chemistry

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

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