[email protected]
CAS 24775-43-7 1-allyl-3-(pyridin-3-yl)thiourea molecular structure lightbox
CAS RN: 24775-43-7

1-allyl-3-(pyridin-3-yl)thiourea

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250319 25mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS24775-43-7
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

24775-43-7 / 1-prop-2-enyl-3-pyridin-3-ylthiourea

Standard CAS: 24775-43-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
24775-43-7
Multi CAS
No
Molecular Formula
C9H11N3S
Molecular Weight
193.270000
Exact Mass
193.067369
SMILES
C=CCNC(=S)NC1=CN=CC=C1
InChI
InChI=1S/C9H11N3S/c1-2-5-11-9(13)12-8-4-3-6-10-7-8/h2-4,6-7H,1,5H2,(H2,11,12,13)
InChIKey
UUSFUDLPFIRKEX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.11
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
2
Molar refractivity
58.66
TPSA
36.95

LogP / Solubility

WLOGP
1.55
MLOGP
1.37
XLogP3
1.5
Consensus LogP
1.47
Log S (ESOL)
-2.16
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.27
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.57
Class (SILICOS-IT)
Moderately 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)
-2.8

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

Customers Also Viewed

Get In Touch

Contact Us