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CAS 16582-59-5 2-Amino-4,6-dichlorobenzothiazole molecular structure lightbox
CAS RN: 16582-59-5

2-Amino-4,6-dichlorobenzothiazole

Product Availability

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7 package records3 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250506 1g In stock Inquiry
Batchno.20250710 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260516 10g Out of stock Inquiry
Batchno.20250210 1g Out of stock Inquiry
Batchno.20250325 250mg In stock Tianjin, Wuhan, Chengdu Inquiry
Batchno.20250721 25g Out of stock Inquiry
Batchno.20250916 5g Out of stock Inquiry
  • Product code: SSC-072413
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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: 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 16582-59-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Beijing Inquiry

16582-59-5 / 4,6-dichloro-1,3-benzothiazol-2-amine

Standard CAS: 16582-59-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
16582-59-5
Multi CAS
No
Molecular Formula
C7H4Cl2N2S
Molecular Weight
219.090000
Exact Mass
217.947225
SMILES
C1=C(C=C(C2=C1SC(=N2)N)Cl)Cl
InChI
InChI=1S/C7H4Cl2N2S/c8-3-1-4(9)6-5(2-3)12-7(10)11-6/h1-2H,(H2,10,11)
InChIKey
UZGRZSHGRZYCQV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
9
H-bond acceptors
3
H-bond donors
1
Molar refractivity
54.05
TPSA
38.91

LogP / Solubility

WLOGP
3.19
MLOGP
2.81
XLogP3
3.4
Consensus LogP
3.13
Log S (ESOL)
-3.76
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.66
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.73
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)
-1.79

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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