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CAS 1123-99-5 2-Iodobenzothiazole molecular structure lightbox
CAS RN: 1123-99-5

2-Iodobenzothiazole

Product Availability

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5 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250919 10g In stock Chengdu Inquiry
Batchno.20250922 1g Out of stock Inquiry
Batchno.20250731 250mg In stock Shanghai, Tianjin Inquiry
Batchno.20260421 25g In stock Shanghai, Tianjin, Chengdu Inquiry
Batchno.20260131 5g In stock Shenzhen Inquiry
  • Product code: SSC-012756
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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, 5g
  • 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 1123-99-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry
5g ≥95% 0 Out of Stock Shenzhen Inquiry

1123-99-5 / 2-iodo-1,3-benzothiazole

2-iodobenzothiazole | DTXSID20356652 | RefChem:262262

Standard CAS: 1123-99-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1123-99-5
Multi CAS
No
Molecular Formula
C7H4INS
Molecular Weight
261.080000
Exact Mass
260.910920
SMILES
C1=CC=C2C(=C1)N=C(S2)I
InChI
InChI=1S/C7H4INS/c8-7-9-5-3-1-2-4-6(5)10-7/h1-4H
InChIKey
WTKCRPLRJZZCMJ-UHFFFAOYSA-N
Synonyms
2-iodobenzothiazole DTXSID20356652 RefChem:262262 DTXCID30307711 2-IODOBENZO[D]THIAZOLE

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
9
H-bond acceptors
2
Molar refractivity
52.34
TPSA
12.89

LogP / Solubility

WLOGP
2.9
MLOGP
2.56
XLogP3
3.3
Consensus LogP
2.92
Log S (ESOL)
-3.95
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.8
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.76
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)
-2.25

Drug-likeness / Medicinal Chemistry

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

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