CAS RN: 200933-26-2
(E)-2-((3-nitropyridin-2-yl)Methylene)hydrazinecarbothioaMide
Product Availability
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1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250424 | 100mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS200933-26-2
- Purity/Analytical Methods: >99.0%
200933-26-2 / [(E)-(3-nitro-2-pyridinyl)methylideneamino]thiourea
Basic Information
CAS
200933-26-2
Multi CAS
No
Molecular Formula
C7H7N5O2S
Molecular Weight
225.230000
Exact Mass
225.032046
SMILES
C1=CC(=C(N=C1)/C=N/NC(=S)N)[N+](=O)[O-]
InChI
InChI=1S/C7H7N5O2S/c8-7(15)11-10-4-5-6(12(13)14)2-1-3-9-5/h1-4H,(H3,8,11,15)/b10-4+
InChIKey
PERKXAPWDKXLAU-ONNFQVAWSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
6
Rotatable bonds
3
H-bond acceptors
5
H-bond donors
2
Molar refractivity
58.41
TPSA
106.44
LogP / Solubility
WLOGP
0.16
MLOGP
0.14
XLogP3
0.3
Consensus LogP
0.2
Log S (ESOL)
-1.43
Class (ESOL)
Soluble
Log S (Ali)
-1.52
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.61
Class (SILICOS-IT)
Soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.98
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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