CAS RN: 100114-24-7
5-METHYL-2-METHYLSULFANYL-PYRIMIDINE
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250501 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: SSC-000457
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Hong Kong | Inquiry |
100114-24-7 / 5-methyl-2-methylsulfanylpyrimidine
100114-24-7 | 5-METHYL-2-(METHYLSULFANYL)PYRIMIDINE | DTXSID90595773
Basic Information
CAS
100114-24-7
Multi CAS
No
Molecular Formula
C6H8N2S
Molecular Weight
140.210000
Exact Mass
140.040819
SMILES
CC1=CN=C(N=C1)SC
InChI
InChI=1S/C6H8N2S/c1-5-3-7-6(9-2)8-4-5/h3-4H,1-2H3
InChIKey
HMROJJZKKIPDRB-UHFFFAOYSA-N
Synonyms
100114-24-7
5-METHYL-2-(METHYLSULFANYL)PYRIMIDINE
DTXSID90595773
RefChem:304025
DTXCID20546536
Computed Properties
Structural Parameters
Heavy atom count
9
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
38.55
TPSA
25.78
LogP / Solubility
WLOGP
1.51
MLOGP
1.32
XLogP3
1.4
Consensus LogP
1.41
Log S (ESOL)
-2.09
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.8
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.94
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)
-2.51
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
