CAS RN: 4104-75-0
N-METHYL-N-PHENYLTHIOUREA
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250612 | 100mg / 250mg / 1g / 5g / 25g | Confirm by inquiry | Shandong | 8-10 business days | Inquiry |
- Product code: starshine_CAS4104-75-0
- Purity/Analytical Methods: >99.0%
4104-75-0 / 1-methyl-1-phenylthiourea
Basic Information
CAS
4104-75-0
Multi CAS
Yes
Molecular Formula
C8H10N2S
Molecular Weight
166.250000
Exact Mass
166.056470
InChI
InChI=1S/C8H10N2S/c1-10(8(9)11)7-5-3-2-4-6-7/h2-6H,1H3,(H2,9,11)
InChIKey
MCWZNJNWGQPUGL-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.12
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
51.63
TPSA
29.26
LogP / Solubility
WLOGP
1.37
MLOGP
1.2
XLogP3
0.9
Consensus LogP
1.16
Log S (ESOL)
-2.07
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.91
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.99
Class (SILICOS-IT)
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)
-2.76
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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- Product Code: starshine_CAS4108-61-6
- Purity/Analytical method: >99.0%
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