CAS RN: 847783-73-7
4-ISOBUTYL-5-MORPHOLIN-4-YL-4H-1,2,4-TRIAZOLE-3-THIOL
- Product code: SSC-192374
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
- 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 |
|---|---|---|---|---|
| 0.25g | ≥95% | 0 Out of Stock | Shenzhen | Inquiry |
847783-73-7 / 4-(2-methylpropyl)-3-morpholin-4-yl-1H-1,2,4-triazole-5-thione
Basic Information
CAS
847783-73-7
Multi CAS
No
Molecular Formula
C10H18N4OS
Molecular Weight
242.340000
Exact Mass
242.120132
InChI
InChI=1S/C10H18N4OS/c1-8(2)7-14-9(11-12-10(14)16)13-3-5-15-6-4-13/h8H,3-7H2,1-2H3,(H,12,16)
InChIKey
UKSOXGBVEZXIAD-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
5
Fraction Csp3
0.8
Rotatable bonds
3
H-bond acceptors
5
H-bond donors
1
Molar refractivity
65.28
TPSA
46.08
LogP / Solubility
WLOGP
1.43
MLOGP
1.27
XLogP3
0.9
Consensus LogP
1.2
Log S (ESOL)
-2.28
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.58
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.78
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)
-3.18
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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