CAS RN: 52431-78-4
1-(4-Hydroxyphenyl)-5-mercapto-1H-tetrazole
Product Availability
Choose a grade to view its available package options.
2 package records1 with current stock1 grade group
- Product code: SSC-159543
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: 10g
- Available purity: ＞95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 10g | ＞95% | 0 Out of Stock | Shanghai | Inquiry |
52431-78-4 / 1-(4-hydroxyphenyl)-2H-tetrazole-5-thione
Basic Information
CAS
52431-78-4
Multi CAS
Yes
Molecular Formula
C7H6N4OS
Molecular Weight
194.220000
Exact Mass
194.026232
InChI
InChI=1S/C7H6N4OS/c12-6-3-1-5(2-4-6)11-7(13)8-9-10-11/h1-4,12H,(H,8,10,13)
InChIKey
MOXZSKYLLSPATM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
11
Rotatable bonds
1
H-bond acceptors
5
H-bond donors
2
Molar refractivity
48.21
TPSA
66.73
LogP / Solubility
WLOGP
1.03
MLOGP
0.91
XLogP3
2.5
Consensus LogP
1.48
Log S (ESOL)
-2.25
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.9
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.9
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)
-3.17
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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- Product Code: SSC-006306
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