CAS RN: 4343-75-3
4-AMINO-4H-1,2,4-TRIAZOLE-3-THIOL
Product Availability
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3 package records3 with current stock1 grade group
- Product code: starshine_CAS4343-75-3
- Purity/Analytical Methods: >99.0%
4343-75-3 / 4-amino-1H-1,2,4-triazole-5-thione
Basic Information
CAS
4343-75-3
Multi CAS
Yes
Molecular Formula
C2H4N4S
Molecular Weight
116.150000
Exact Mass
116.015667
InChI
InChI=1S/C2H4N4S/c3-6-1-4-5-2(6)7/h1H,3H2,(H,5,7)
InChIKey
DLLBXBCKFUPBJE-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
7
Aromatic heavy atom count
5
H-bond acceptors
4
H-bond donors
2
Molar refractivity
27.56
TPSA
59.63
LogP / Solubility
WLOGP
-0.35
MLOGP
-0.31
XLogP3
-0.8
Consensus LogP
-0.49
Log S (ESOL)
-0.87
Class (ESOL)
Very soluble
Log S (Ali)
-0.26
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.13
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)
-3.67
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: starshine_CAS4344-85-8
- Purity/Analytical method: >99.0%
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