CAS RN: 53645-94-6

2-chloro-5-Methyl-1,3,4-thiadiazole

Product Availability

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4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250226 100mg In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20260216 1g In stock Shanghai, Shenzhen, Tianjin, Chengdu Inquiry
Batchno.20250411 250mg In stock Shanghai, Chengdu Inquiry
Batchno.20260417 5g In stock Shanghai Inquiry
  • Product code: SSC-161015
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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 53645-94-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

53645-94-6 / 2-chloro-5-methyl-1,3,4-thiadiazole

Standard CAS: 53645-94-6 Multi CAS: No

Basic Information

CAS
53645-94-6
Multi CAS
No
Molecular Formula
C3H3CLN2S
Molecular Weight
134.590000
Exact Mass
133.970547
InChI
InChI=1S/C3H3ClN2S/c1-2-5-6-3(4)7-2/h1H3
InChIKey
IPLGMBJDQYRJLJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
7
Aromatic heavy atom count
5
Fraction Csp3
0.33
H-bond acceptors
3
Molar refractivity
29.66
TPSA
25.78

LogP / Solubility

WLOGP
1.5
MLOGP
1.31
XLogP3
1.7
Consensus LogP
1.5
Log S (ESOL)
-2.15
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.75
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.78
Class (SILICOS-IT)
Soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.48

Drug-likeness / Medicinal Chemistry

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

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