CAS RN: 200933-27-3
Triapine
Product Availability
Choose a grade to view its available package options.
6 package records4 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20251201 | 100mg | In stock | Shanghai | Inquiry | |
| Batchno.20250107 | 10mg | Out of stock | Inquiry | ||
| Batchno.20251226 | 250mg | In stock | Shanghai | Inquiry | |
| Batchno.20250404 | 25mg | Out of stock | Inquiry | ||
| Batchno.20250228 | 50mg | In stock | Shanghai | Inquiry | |
| Batchno.20250324 | 5mg / 25mg / 100mg | Confirm by inquiry | Shanghai | 5-7 business days | Inquiry |
- Product code: starshine_CAS200933-27-3
- Purity/Analytical Methods: >99.0%
200933-27-3 / [(E)-(3-amino-2-pyridinyl)methylideneamino]thiourea
Basic Information
CAS
200933-27-3
Multi CAS
No
Molecular Formula
C7H9N5S
Molecular Weight
195.250000
Exact Mass
195.057866
SMILES
C1=CC(=C(N=C1)/C=N/NC(=S)N)N
InChI
InChI=1S/C7H9N5S/c8-5-2-1-3-10-6(5)4-11-12-7(9)13/h1-4H,8H2,(H3,9,12,13)/b11-4+
InChIKey
XMYKNCNAZKMVQN-NYYWCZLTSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
3
Molar refractivity
56.16
TPSA
89.32
LogP / Solubility
WLOGP
-0.17
MLOGP
-0.15
XLogP3
-0.2
Consensus LogP
-0.17
Log S (ESOL)
-1.15
Class (ESOL)
Soluble
Log S (Ali)
-1.04
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.03
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)
-4.03
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
Safety & Transport
Pictogram(s)
Acute Toxic
Irritant
Signal
Danger
GHS Hazard Statements
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
H335 (97.4%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
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