CAS RN: 61169-63-9
2-AMINOTHIAZOLE SULFATE
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3 package records3 with current stock1 grade group
- Product code: starshine_CAS61169-63-9
- Purity/Analytical Methods: >99.0%
61169-63-9 / sulfuric acid;bis(1,3-thiazol-2-amine)
Basic Information
CAS
61169-63-9
Multi CAS
Yes
Molecular Formula
C6H10N4O4S3
Molecular Weight
298.400000
Exact Mass
297.986418
InChI
InChI=1S/C3H4N2S.H2O4S/c4-3-5-1-2-6-3;1-5(2,3)4/h1-2H,(H2,4,5);(H2,1,2,3,4)
InChIKey
QOJSIZLNPFGXCS-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
10
H-bond acceptors
8
H-bond donors
4
Molar refractivity
67.23
TPSA
152.42
LogP / Solubility
WLOGP
0.8
MLOGP
0.71
XLogP3
0.8
Consensus LogP
0.77
Log S (ESOL)
-2.63
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.58
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.26
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
Low
BBB permeant
No
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
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
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