CAS RN: 108831-66-9
BUTTPARK 14618-29
Product Availability
Choose a grade to view its available package options.
6 package records5 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250823 | 1g / 5g / 100g | Out of stock | 8-10 business days | Inquiry |
- Product code: SSC-010067
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: 5g
- 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 |
|---|---|---|---|---|
| 5g | ≥95% | 0 Out of Stock | Shanghai | Inquiry |
108831-66-9 / 6-methyl-3H-thieno[2,3-d]pyrimidin-4-one
6-methyl-3H,4H-thieno[2,3-d]pyrimidin-4-one | 6-methyl-3H,4H-thieno(2,3-d)pyrimidin-4-one | RefChem:543892
Basic Information
CAS
108831-66-9
Multi CAS
Yes
Molecular Formula
C7H6N2OS
Molecular Weight
166.200000
Exact Mass
166.020084
SMILES
CC1=CC2=C(S1)N=CNC2=O
InChI
InChI=1S/C7H6N2OS/c1-4-2-5-6(10)8-3-9-7(5)11-4/h2-3H,1H3,(H,8,9,10)
InChIKey
IXBCLHWYSXPUJS-UHFFFAOYSA-N
Synonyms
6-methyl-3H,4H-thieno[2,3-d]pyrimidin-4-one
6-methyl-3H,4H-thieno(2,3-d)pyrimidin-4-one
RefChem:543892
674-853-8
6-Methyl-3H-thieno[2,3-d]pyrimidin-4-one
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
9
Fraction Csp3
0.14
H-bond acceptors
3
H-bond donors
1
Molar refractivity
44.98
TPSA
45.75
LogP / Solubility
WLOGP
1.29
MLOGP
1.13
XLogP3
1.1
Consensus LogP
1.17
Log S (ESOL)
-2.29
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.86
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.81
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)
-2.82
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Safety & Transport
Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
H312 (50%): Harmful in contact with skin [Warning Acute toxicity, dermal]
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
H332 (50%): Harmful if inhaled [Warning Acute toxicity, inhalation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
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