CAS RN: 101337-92-2
6-CHLORO-5-FLUOROBENZIMIDAZOLE-2-THIOL
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260313 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS101337-92-2
- Purity/Analytical Methods: >99.0%
101337-92-2 / 5-chloro-6-fluoro-1,3-benzothiazol-2-amine
6-chloro-5-fluorobenzimidazole-2-thiol | DTXSID60361482 | RefChem:308012
Basic Information
CAS
101337-92-2
Multi CAS
Yes
Molecular Formula
C7H4ClFN2S
Molecular Weight
202.640000
Exact Mass
201.976775
SMILES
C1=C2C(=CC(=C1Cl)F)SC(=N2)N
InChI
InChI=1S/C7H4ClFN2S/c8-3-1-5-6(2-4(3)9)12-7(10)11-5/h1-2H,(H2,10,11)
InChIKey
KIFQKTQYEYQDED-UHFFFAOYSA-N
Synonyms
6-chloro-5-fluorobenzimidazole-2-thiol
DTXSID60361482
RefChem:308012
DTXCID20312531
5-Chloro-6-fluoro-1H-benzo[d]imidazole-2(3H)-thione
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
9
H-bond acceptors
3
H-bond donors
1
Molar refractivity
49
TPSA
38.91
LogP / Solubility
WLOGP
2.67
MLOGP
2.35
XLogP3
2.8
Consensus LogP
2.61
Log S (ESOL)
-3.33
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.15
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.19
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)
-2.06
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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