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CAS 65078-18-4 2-(3-METHYLPHENYL)-1-HYDRAZINECARBOTHIOAMIDE molecular structure lightbox
CAS RN: 65078-18-4

2-(3-METHYLPHENYL)-1-HYDRAZINECARBOTHIOAMIDE

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250522 5mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS65078-18-4
  • Purity/Analytical Methods: >99.0%
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65078-18-4 / (3-methylanilino)thiourea

Standard CAS: 65078-18-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
65078-18-4
Multi CAS
No
Molecular Formula
C8H11N3S
Molecular Weight
181.260000
Exact Mass
181.067369
InChI
InChI=1S/C8H11N3S/c1-6-3-2-4-7(5-6)10-11-8(9)12/h2-5,10H,1H3,(H3,9,11,12)
InChIKey
ICOWYOCHWXYIQG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.12
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
3
Molar refractivity
54.72
TPSA
50.08

LogP / Solubility

WLOGP
1.16
MLOGP
1.01
XLogP3
1.8
Consensus LogP
1.32
Log S (ESOL)
-1.93
Class (ESOL)
Soluble
Log S (Ali)
-1.88
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.04
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)
-3.01

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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