1,2,3,7-tetrahydro-2-thioxo-6H-purin-6-one (CAS 2487-40-3) — formula C5H4N4OS, molecular weight 168.18; category organic chemicals.
| CAS Number | 2487-40-3 |
|---|---|
| Molecular Formula | C5H4N4OS |
| Molecular Weight | 168.18 |
| LogP | -0.57 |
| Applications | General Manufacturing Information: 6H-Purin-6-one, 1, 2, 3, 9-tetrahydro-2-thioxo-: ACTIVE |
| Category | Organic Chemicals |
Documented applications: General Manufacturing Information: 6H-Purin-6-one, 1, 2, 3, 9-tetrahydro-2-thioxo-: ACTIVE.
1,2,3,7-tetrahydro-2-thioxo-6H-purin-6-one is a carbon-based organic compound with CAS registry number 2487-40-3 and molecular formula C5H4N4OS (molecular weight 168.18), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 2487-40-3
Its molecular formula C5H4N4OS comprises 5 C, 4 H, 4 N, 1 O, 1 S atoms.
Also known as: 1,2,3,7-tetrahydro-2-thioxo-6H-purin-6-one · 1,2,3,7-四氢-2-硫代-6H-嘌呤-6-酮
Category: organic chemicals
The CAS registry number of 1,2,3,7-tetrahydro-2-thioxo-6H-purin-6-one is 2487-40-3.
Molecular formula C5H4N4OS, molecular weight 168.18.
It is also registered under: 1,2,3,7-tetrahydro-2-thioxo-6H-purin-6-one, 1,2,3,7-四氢-2-硫代-6H-嘌呤-6-酮.
Recorded applications: General Manufacturing Information: 6H-Purin-6-one, 1, 2, 3, 9-tetrahydro-2-thioxo-: ACTIVE.
Category: Organic Chemicals.
Independent reference data for 1,2,3,7-tetrahydro-2-thioxo-6H-purin-6-one (CAS 2487-40-3), compiled from public chemistry databases.
| CAS Registry Number | 2487-40-3 |
|---|---|
| PubChem CID | 1268185 |
| Molecular formula | C5H4N4OS |
| IUPAC name | 2-sulfanylidene-3,7-dihydropurin-6-one |
| UNII (FDA) | PL0PPI1U9A |
| Molecular Weight | 168.18 |
|---|---|
| XLogP3 | -0.1 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 0 |
| Exact Mass | 168.01058194 |
| Monoisotopic Mass | 168.01058194 |
| Topological Polar Surface Area | 102 |
| Heavy Atom Count | 11 |
| LogP | -0.57 |
|---|
2-Thioxanthine; 2487-40-3; 2-Thioxanthene; 1,2,3,7-Tetrahydro-2-thioxo-6H-purin-6-one; PL0PPI1U9A; NSC-36822; NSC-680828; DTXSID7062459; RefChem:89479; DTXCID9037163; 219-636-7; 6-Hydroxy-2-mercaptopurine; 2-Mercapto-6-hydroxypurine; 2-Thioxo-2,3-dihydro-1H-purin-6(7H)-one; 2-Thio-6-oxypurine; Xanthine, 2-thio-
| Reported hazard statements | H315 (100%), H319 (100%), H335 (100%) |
|---|
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
1,2,3,7-tetrahydro-2-thioxo-6H-purin-6-one · CAS 2487-40-3 · C5H4N4OS. UNII PL0PPI1U9A. LogP: -0.57.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.