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CAS 1006-99-1 5-Chloro-2-methylbenzothiazole molecular structure lightbox
CAS RN: 1006-99-1

5-Chloro-2-methylbenzothiazole

Product Availability

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11 package records10 with current stock3 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251021 100g In stock Inquiry
Batchno.20250304 1g In stock Inquiry
Batchno.20250702 25g In stock Inquiry
Batchno.20250418 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250613 100g In stock Shanghai Inquiry
Batchno.20250711 25g In stock Shanghai, Shandong Inquiry
Batchno.20250726 5g In stock Shandong Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250418 100g In stock Shanghai Inquiry
Batchno.20251228 25g In stock Shanghai Inquiry
Batchno.20250804 500g Out of stock Inquiry
Batchno.20260617 5g In stock Shanghai Inquiry
  • Product code: SSC-001212
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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: 25g, 100g
  • 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 1006-99-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ≥97% 0 Out of Stock Shanghai Inquiry
100g ≥97% 0 Out of Stock Hong Kong Inquiry

1006-99-1 / 5-chloro-2-methyl-1,3-benzothiazole

5-Chloro-2-methylbenzothiazole | BENZOTHIAZOLE, 5-CHLORO-2-METHYL- | NSC 8453

Standard CAS: 1006-99-1 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1006-99-1
Multi CAS
Yes
Molecular Formula
C8H6ClNS
Molecular Weight
183.660000
Exact Mass
182.990948
SMILES
CC1=NC2=C(S1)C=CC(=C2)Cl
InChI
InChI=1S/C8H6ClNS/c1-5-10-7-4-6(9)2-3-8(7)11-5/h2-4H,1H3
InChIKey
XCALAYIRFYALSX-UHFFFAOYSA-N
Synonyms
5-Chloro-2-methylbenzothiazole BENZOTHIAZOLE, 5-CHLORO-2-METHYL- NSC 8453 EINECS 213-746-9 BRN 0120802

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
9
Fraction Csp3
0.12
H-bond acceptors
2
Molar refractivity
49.37
TPSA
12.89

LogP / Solubility

WLOGP
3.26
MLOGP
2.87
XLogP3
3.4
Consensus LogP
3.18
Log S (ESOL)
-3.64
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.42
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.56
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.53

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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