7-(2-Chloro-benzyl)-8-mercapto-1,3-dimethyl-3,7-dihydro-purine-2,6-dione (CAS 1807-81-4) — formula C14H13ClN4O2S, molecular weight 336.8; category organic chemicals.
| CAS Number | 1807-81-4 |
|---|---|
| Molecular Formula | C14H13ClN4O2S |
| Molecular Weight | 336.8 |
| LogP | 2.4 |
| Category | Organic Chemicals |
7-(2-Chloro-benzyl)-8-mercapto-1,3-dimethyl-3,7-dihydro-purine-2,6-dione is a carbon-based organic compound with CAS registry number 1807-81-4 and molecular formula C14H13ClN4O2S (molecular weight 336.8), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 1807-81-4
Its molecular formula C14H13ClN4O2S comprises 14 C, 13 H, 1 Cl, 4 N, 2 O, 1 S atoms.
Also known as: 7-(2-Chloro-benzyl)-8-mercapto-1,3-dimethyl-3,7-dihydro-purine-2,6-dione · 7-(2-氯-苄基)-8-巯基-1,3-二甲基-3,7-二氢-嘌呤-2,6-二酮
Category: organic chemicals
The CAS registry number of 7-(2-Chloro-benzyl)-8-mercapto-1,3-dimethyl-3,7-dihydro-purine-2,6-dione is 1807-81-4.
Molecular formula C14H13ClN4O2S, molecular weight 336.8.
It is also registered under: 7-(2-Chloro-benzyl)-8-mercapto-1,3-dimethyl-3,7-dihydro-purine-2,6-dione, 7-(2-氯-苄基)-8-巯基-1,3-二甲基-3,7-二氢-嘌呤-2,6-二酮.
Category: Organic Chemicals.
Independent reference data for 7-(2-Chloro-benzyl)-8-mercapto-1,3-dimethyl-3,7-dihydro-purine-2,6-dione (CAS 1807-81-4), compiled from public chemistry databases.
| CAS 号 | 1807-81-4 |
|---|---|
| PubChem CID | 708513 |
| 分子式 | C14H13ClN4O2S |
| IUPAC 名称 | 7-[(2-chlorophenyl)methyl]-1,3-dimethyl-8-sulfanylidene-9H-purine-2,6-dione |
| UNII（FDA） | ST50252447 |
| Molecular Weight | 336.8 |
|---|---|
| XLogP3 | 2.4 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 2 |
| Exact Mass | 336.0447745 |
| Monoisotopic Mass | 336.0447745 |
| Topological Polar Surface Area | 88 |
| Heavy Atom Count | 22 |
1807-81-4; 7-[(2-chlorophenyl)methyl]-1,3-dimethyl-8-sulfanyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione; 7-[(2-chlorophenyl)methyl]-1,3-dimethyl-8-sulfanyl-1,3,7-trihydropurine-2,6-di one; CBMicro_001304; 7-(2-Chloro-benzyl)-8-mercapto-1,3-dimethyl-3,7-dihydro-purine-2,6-dione; 7-[(2-chlorophenyl)methyl]-1,3-dimethyl-8-sulfanylidene-9H-purine-2,6-dione; Oprea1_026202; Oprea1_482668; CHEMBL1403526; SMSF0010867; SBB084829; STK324963; STL148707; AKOS000625289; AKOS005748585; CB03012
7-(2-氯-苄基)-8-巯基-1,3-二甲基-3,7-二氢-嘌呤-2,6-二酮 · CAS 1807-81-4 · C14H13ClN4O2S. UNII ST50252447.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.