CAS RN: 885272-19-5
1H-INDOLE-6-CARBOTHIOIC ACID AMIDE
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20251023 | 25mg / 100mg | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS885272-19-5
- Purity/Analytical Methods: >99.0%
885272-19-5 / 1H-indole-6-carbothioamide
Basic Information
CAS
885272-19-5
Multi CAS
No
Molecular Formula
C9H8N2S
Molecular Weight
176.240000
Exact Mass
176.040819
InChI
InChI=1S/C9H8N2S/c10-9(12)7-2-1-6-3-4-11-8(6)5-7/h1-5,11H,(H2,10,12)
InChIKey
LHLODSWIVCZDPI-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
9
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
2
Molar refractivity
54.19
TPSA
41.81
LogP / Solubility
WLOGP
1.8
MLOGP
1.58
XLogP3
2.1
Consensus LogP
1.83
Log S (ESOL)
-2.56
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.31
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.42
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.52
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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