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CAS 6281-61-4 N-benzoyl-N’-(4-methylphenyl)thiourea molecular structure lightbox
CAS RN: 6281-61-4

N-benzoyl-N’-(4-methylphenyl)thiourea

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250621 1g Out of stock 15 business days Inquiry
  • Product code: starshine_CAS6281-61-4
  • Purity/Analytical Methods: >99.0%
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6281-61-4 / N-[(4-methylphenyl)carbamothioyl]benzamide

Standard CAS: 6281-61-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
6281-61-4
Multi CAS
No
Molecular Formula
C15H14N2OS
Molecular Weight
270.400000
Exact Mass
270.082684
InChI
InChI=1S/C15H14N2OS/c1-11-7-9-13(10-8-11)16-15(19)17-14(18)12-5-3-2-4-6-12/h2-10H,1H3,(H2,16,17,18,19)
InChIKey
KZULWIHHNWYETK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
12
Fraction Csp3
0.07
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
2
Molar refractivity
81.31
TPSA
41.13

LogP / Solubility

WLOGP
3.12
MLOGP
2.76
XLogP3
4.4
Consensus LogP
3.43
Log S (ESOL)
-3.82
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.03
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.25
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.15

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5

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