CAS RN: 1004-39-3
4,6-Diamino-2-mercaptopyrimidine
Product Availability
Choose a grade to view its available package options.
9 package records8 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260624 | 100g | In stock | Shanghai | Inquiry | |
| Batchno.20250512 | 10g | In stock | Shenzhen | Inquiry | |
| Batchno.20260427 | 1g | In stock | Shanghai, Chengdu | Inquiry | |
| Batchno.20250704 | 25g | In stock | Shanghai, Tianjin, Chengdu | Inquiry | |
| Batchno.20260106 | 500g | In stock | Shanghai | Inquiry | |
| Batchno.20250108 | 5g | In stock | Shanghai, Chengdu | Inquiry |
- Product code: SSC-000967
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: 25g
- Available purity: ＞97%
- 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 |
|---|---|---|---|---|
| 25g | ＞97% | 0 Out of Stock | Hong Kong | Inquiry |
1004-39-3 / 4,6-diamino-1H-pyrimidine-2-thione
4,6-Diamino-2-mercaptopyrimidine | 4,6-Diaminopyrimidine-2-thiol | 4,6-Diamino-2-thiopyrimidine
Basic Information
CAS
1004-39-3
Multi CAS
Yes
Molecular Formula
C4H6N4S
Molecular Weight
142.190000
Exact Mass
142.031317
SMILES
C1=C(NC(=S)N=C1N)N
InChI
InChI=1S/C4H6N4S/c5-2-1-3(6)8-4(9)7-2/h1H,(H5,5,6,7,8,9)
InChIKey
QCAWOHUJKPKOMD-UHFFFAOYSA-N
Synonyms
4,6-Diamino-2-mercaptopyrimidine
4,6-Diaminopyrimidine-2-thiol
4,6-Diamino-2-thiopyrimidine
2(1H)-Pyrimidinethione, 4,6-diamino-
2-Mercapto-4,6-diaminopyrimidine
Computed Properties
Structural Parameters
Heavy atom count
9
Aromatic heavy atom count
6
H-bond acceptors
4
H-bond donors
3
Molar refractivity
38.25
TPSA
80.72
LogP / Solubility
WLOGP
0.3
MLOGP
0.26
XLogP3
-1.2
Consensus LogP
-0.21
Log S (ESOL)
-1.41
Class (ESOL)
Soluble
Log S (Ali)
-0.95
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.84
Class (SILICOS-IT)
Very soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.37
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
Safety & Transport
Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
H335 (83.3%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
