![CAS 60782-38-9 1H-Pyrrolo[2,3-b]pyridine-1-carbothioamide, 2,3-dihydro- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/60782-38-9.gif)
CAS RN: 60782-38-9
1H-Pyrrolo[2,3-b]pyridine-1-carbothioamide, 2,3-dihydro-
- Product code: SSC-169438
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g
- Available purity: >95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | >95% | 0 Out of Stock | Beijing | Inquiry |
60782-38-9 / 2,3-dihydropyrrolo[2,3-b]pyridine-1-carbothioamide
Basic Information
CAS
60782-38-9
Multi CAS
No
Molecular Formula
C8H9N3S
Molecular Weight
179.240000
Exact Mass
179.051718
InChI
InChI=1S/C8H9N3S/c9-8(12)11-5-3-6-2-1-4-10-7(6)11/h1-2,4H,3,5H2,(H2,9,12)
InChIKey
RCGUSGOGTZNKOZ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.25
H-bond acceptors
2
H-bond donors
1
Molar refractivity
52.07
TPSA
42.15
LogP / Solubility
WLOGP
0.69
MLOGP
0.6
XLogP3
0.6
Consensus LogP
0.63
Log S (ESOL)
-1.75
Class (ESOL)
Soluble
Log S (Ali)
-1.53
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.4
Class (SILICOS-IT)
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)
-3.33
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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