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CAS 88686-29-7 2-METHOXY-5-METHYLPHENYLTHIOUREA molecular structure lightbox
CAS RN: 88686-29-7

2-METHOXY-5-METHYLPHENYLTHIOUREA

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250526 100mg / 250mg / 1g / 5g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS88686-29-7
  • Purity/Analytical Methods: >99.0%
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88686-29-7 / (2-methoxy-5-methylphenyl)thiourea

Standard CAS: 88686-29-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
88686-29-7
Multi CAS
Yes
Molecular Formula
C9H12N2OS
Molecular Weight
196.270000
Exact Mass
196.067034
InChI
InChI=1S/C9H12N2OS/c1-6-3-4-8(12-2)7(5-6)11-9(10)13/h3-5H,1-2H3,(H3,10,11,13)
InChIKey
IPKUQBKZOAIUOC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.22
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
2
Molar refractivity
58.14
TPSA
47.28

LogP / Solubility

WLOGP
1.66
MLOGP
1.46
XLogP3
1.5
Consensus LogP
1.54
Log S (ESOL)
-2.31
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.37
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.55
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)
-2.74

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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