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CAS 3989-36-4 ETHYL 1,2,3-THIADIAZOLE-4-CARBOXYLATE molecular structure lightbox
CAS RN: 3989-36-4

ETHYL 1,2,3-THIADIAZOLE-4-CARBOXYLATE

  • Product code: SSC-147662
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.25g, 1g, 5g, 25g, 10g
  • Available purity: >97%
  • Inventory rows with stock: 5
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 3989-36-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g >97% 4 In Stock Shenzhen Inquiry
1g >97% 4 In Stock Hong Kong Inquiry
5g >97% 4 In Stock Beijing Inquiry
25g >97% 4 In Stock Shanghai Inquiry
10g >97% 3 In Stock Hong Kong Inquiry

3989-36-4 / ethyl thiadiazole-4-carboxylate

Standard CAS: 3989-36-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
3989-36-4
Multi CAS
Yes
Molecular Formula
C5H6N2O2S
Molecular Weight
158.180000
Exact Mass
158.014999
InChI
InChI=1S/C5H6N2O2S/c1-2-9-5(8)4-3-10-7-6-4/h3H,2H2,1H3
InChIKey
FBUHTNOJXVICFM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
5
Fraction Csp3
0.4
Rotatable bonds
2
H-bond acceptors
5
Molar refractivity
35.87
TPSA
52.08

LogP / Solubility

WLOGP
0.71
MLOGP
0.62
XLogP3
1
Consensus LogP
0.78
Log S (ESOL)
-1.51
Class (ESOL)
Soluble
Log S (Ali)
-1.37
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.52
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)
-3.18

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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