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CAS 672-35-5 5-Chloro-3-(trifluoroMethyl)-1,2,4-thiadiazole molecular structure lightbox
CAS RN: 672-35-5

5-Chloro-3-(trifluoroMethyl)-1,2,4-thiadiazole

  • Product code: SSC-176833
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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: 0.25g, 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 672-35-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Beijing Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry
5g ≥95% 0 Out of Stock Beijing Inquiry

672-35-5 / 5-chloro-3-(trifluoromethyl)-1,2,4-thiadiazole

Standard CAS: 672-35-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
672-35-5
Multi CAS
No
Molecular Formula
C3CLF3N2S
Molecular Weight
188.560000
Exact Mass
187.942281
InChI
InChI=1S/C3ClF3N2S/c4-2-8-1(9-10-2)3(5,6)7
InChIKey
MCZJFFUPCJJZSD-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
5
Fraction Csp3
0.33
H-bond acceptors
3
Molar refractivity
29.92
TPSA
25.78

LogP / Solubility

WLOGP
2.21
MLOGP
1.94
XLogP3
2.6
Consensus LogP
2.25
Log S (ESOL)
-2.77
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.7
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.72
Class (SILICOS-IT)
Moderately 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)
-2.3

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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