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CAS 1199773-39-1 6-(Trifluoromethyl)thiazolo[4,5-b]pyridine-2-thiol molecular structure lightbox
CAS RN: 1199773-39-1

6-(Trifluoromethyl)thiazolo[4,5-b]pyridine-2-thiol

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250523 1g Out of stock 15 business days Inquiry
  • Product code: starshine_CAS1199773-39-1
  • Purity/Analytical Methods: >99.0%
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1199773-39-1 / 6-(trifluoromethyl)-3H-[1,3]thiazolo[4,5-b]pyridine-2-thione

6-(Trifluoromethyl)thiazolo[4,5-b]pyridine-2-thiol | 2-Mercapto-6-trifluoromethylthiazolo[4,5-b]pyridine | 6-(trifluoromethyl)-3H-[1,3]thiazolo[4,5-b]pyridine-2-thione

Standard CAS: 1199773-39-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1199773-39-1
Multi CAS
No
Molecular Formula
C7H3F3N2S2
Molecular Weight
236.200000
Exact Mass
235.968975
SMILES
C1=C(C=NC2=C1SC(=S)N2)C(F)(F)F
InChI
InChI=1S/C7H3F3N2S2/c8-7(9,10)3-1-4-5(11-2-3)12-6(13)14-4/h1-2H,(H,11,12,13)
InChIKey
FGPULQJCUIQMEF-UHFFFAOYSA-N
Synonyms
6-(Trifluoromethyl)thiazolo[4,5-b]pyridine-2-thiol 2-Mercapto-6-trifluoromethylthiazolo[4,5-b]pyridine 6-(trifluoromethyl)-3H-[1,3]thiazolo[4,5-b]pyridine-2-thione C7H3F3N2S2 MFCD13195715

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
9
Fraction Csp3
0.14
H-bond acceptors
3
H-bond donors
1
Molar refractivity
49.81
TPSA
28.68

LogP / Solubility

WLOGP
3.37
MLOGP
2.97
XLogP3
2.4
Consensus LogP
2.91
Log S (ESOL)
-3.91
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.93
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.99
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.77

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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