CAS RN: 24827-74-5
1-DECYL-2-THIOUREA
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.20260406 | 250mg / 1g / 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS24827-74-5
- Purity/Analytical Methods: >99.0%
24827-74-5 / decylthiourea
Basic Information
CAS
24827-74-5
Multi CAS
No
Molecular Formula
C11H24N2S
Molecular Weight
216.390000
Exact Mass
216.166020
SMILES
CCCCCCCCCCNC(=S)N
InChI
InChI=1S/C11H24N2S/c1-2-3-4-5-6-7-8-9-10-13-11(12)14/h2-10H2,1H3,(H3,12,13,14)
InChIKey
GSNUNTMZZWSJCW-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Fraction Csp3
0.91
Rotatable bonds
9
H-bond acceptors
1
H-bond donors
2
Molar refractivity
67.4
TPSA
38.05
LogP / Solubility
WLOGP
2.96
MLOGP
2.61
XLogP3
4.1
Consensus LogP
3.22
Log S (ESOL)
-2.45
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.47
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.6
Class (SILICOS-IT)
Slightly 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)
-1.94
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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