![CAS 124187-74-2 Thiopyrano[3,2-c]pyrazol-3(5H)-one, 1,2,6,7-tetrahydro- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/124187-74-2.gif)
CAS RN: 124187-74-2
Thiopyrano[3,2-c]pyrazol-3(5H)-one, 1,2,6,7-tetrahydro-
- Product code: SSC-028027
Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 1g, 0.25g, 0.05g, 0.1g
- Available purity: ≥95%
- Inventory rows with stock: 3
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
124187-74-2 / 2,5,6,7-tetrahydro-1H-thiopyrano[3,2-c]pyrazol-3-one
Basic Information
CAS
124187-74-2
Multi CAS
No
Molecular Formula
C6H8N2OS
Molecular Weight
156.210000
Exact Mass
156.035734
SMILES
C1CC2=C(C(=O)NN2)SC1
InChI
InChI=1S/C6H8N2OS/c9-6-5-4(7-8-6)2-1-3-10-5/h1-3H2,(H2,7,8,9)
InChIKey
SNBWDVNDGVABAL-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Aromatic heavy atom count
5
Fraction Csp3
0.5
H-bond acceptors
2
H-bond donors
2
Molar refractivity
40.46
TPSA
48.65
LogP / Solubility
WLOGP
0.74
MLOGP
0.65
XLogP3
0.9
Consensus LogP
0.76
Log S (ESOL)
-1.65
Class (ESOL)
Soluble
Log S (Ali)
-1.38
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.29
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)
-3.15
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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