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CAS 5728-07-4 1,2,5-THIADIAZOL-3-OL molecular structure lightbox
CAS RN: 5728-07-4

1,2,5-THIADIAZOL-3-OL

  • Product code: SSC-165370
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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: 0.05g, 0.1g, 0.25g, 1g
  • Available purity: >95%
  • Inventory rows with stock: 4
  • 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 5728-07-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.05g >95% 5 In Stock Shenzhen Inquiry
0.1g >95% 5 In Stock Hong Kong Inquiry
0.25g >95% 5 In Stock Shenzhen Inquiry
1g >95% 5 In Stock Beijing Inquiry

5728-07-4 / 1,2,5-thiadiazol-3-one

Standard CAS: 5728-07-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
5728-07-4
Multi CAS
No
Molecular Formula
C2H2N2OS
Molecular Weight
102.120000
Exact Mass
101.988784
InChI
InChI=1S/C2H2N2OS/c5-2-1-3-6-4-2/h1H,(H,4,5)
InChIKey
MUHCEAIVGKVBHE-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
6
Aromatic heavy atom count
5
H-bond acceptors
3
H-bond donors
1
Molar refractivity
22.73
TPSA
45.75

LogP / Solubility

WLOGP
-0.17
MLOGP
-0.16
XLogP3
-0.1
Consensus LogP
-0.14
Log S (ESOL)
-0.98
Class (ESOL)
Very soluble
Log S (Ali)
-0.28
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.18
Class (SILICOS-IT)
Very 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)
-3.46

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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