![CAS 16085-50-0 1,5-DIMETHYL-1H,5H-[1,2,4]TRIAZOLO[1,2-A][1,2,4]TRIAZOLE-3,7-DITHIOL molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/16085-50-0.gif)
CAS RN: 16085-50-0
1,5-DIMETHYL-1H,5H-[1,2,4]TRIAZOLO[1,2-A][1,2,4]TRIAZOLE-3,7-DITHIOL
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250126 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS16085-50-0
- Purity/Analytical Methods: >99.0%
16085-50-0 / 1,5-dimethyl-1,2,5,6-tetrahydro-[1,2,4]triazolo[1,2-a][1,2,4]triazole-3,7-dithione
Basic Information
CAS
16085-50-0
Multi CAS
No
Molecular Formula
C6H10N4S2
Molecular Weight
202.300000
Exact Mass
202.034689
SMILES
CC1NC(=S)N2N1C(=S)NC2C
InChI
InChI=1S/C6H10N4S2/c1-3-7-5(11)10-4(2)8-6(12)9(3)10/h3-4H,1-2H3,(H,7,11)(H,8,12)
InChIKey
STHDAFBSDYQXQG-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Fraction Csp3
0.67
H-bond acceptors
2
H-bond donors
2
Molar refractivity
54.07
TPSA
30.54
LogP / Solubility
WLOGP
-0.03
MLOGP
-0.02
XLogP3
0.9
Consensus LogP
0.28
Log S (ESOL)
-1.08
Class (ESOL)
Soluble
Log S (Ali)
-1.2
Class (Ali)
Soluble
Log S (SILICOS-IT)
-0.95
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)
-3.97
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
2.5
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