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CAS 1614-33-1 N-(4-THIOUREIDO-PHENYL)-ACETAMIDE molecular structure lightbox
CAS RN: 1614-33-1

N-(4-THIOUREIDO-PHENYL)-ACETAMIDE

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260530 50mg / 250mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS1614-33-1
  • Purity/Analytical Methods: >99.0%
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1614-33-1 / N-[4-(carbamothioylamino)phenyl]acetamide

Standard CAS: 1614-33-1 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1614-33-1
Multi CAS
No
Molecular Formula
C9H11N3OS
Molecular Weight
209.270000
Exact Mass
209.062283
SMILES
CC(=O)NC1=CC=C(C=C1)NC(=S)N
InChI
InChI=1S/C9H11N3OS/c1-6(13)11-7-2-4-8(5-3-7)12-9(10)14/h2-5H,1H3,(H,11,13)(H3,10,12,14)
InChIKey
WZUDNCUTQJSKJU-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.11
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
3
Molar refractivity
61.15
TPSA
67.15

LogP / Solubility

WLOGP
1.3
MLOGP
1.15
XLogP3
1.1
Consensus LogP
1.18
Log S (ESOL)
-2.14
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.22
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.34
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)
-3.07

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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