CAS RN: 76609-47-7
4-(3-PICOLYL)-3-THIOSEMICARBAZIDE
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250406 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS76609-47-7
- Purity/Analytical Methods: >99.0%
76609-47-7 / 1-amino-3-(pyridin-3-ylmethyl)thiourea
Basic Information
CAS
76609-47-7
Multi CAS
No
Molecular Formula
C7H10N4S
Molecular Weight
182.250000
Exact Mass
182.062618
InChI
InChI=1S/C7H10N4S/c8-11-7(12)10-5-6-2-1-3-9-4-6/h1-4H,5,8H2,(H2,10,11,12)
InChIKey
APBGERKKEPNJPX-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
3
Molar refractivity
51
TPSA
62.97
LogP / Solubility
WLOGP
-0.08
MLOGP
-0.07
XLogP3
-0.4
Consensus LogP
-0.18
Log S (ESOL)
-1.16
Class (ESOL)
Soluble
Log S (Ali)
-1
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-1.02
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)
-3.89
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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