1,3-Dimethyl-8-(dodecylthio)-2-thioxo-1,3,6,7-tetrahydro-2H-purin-6-one (CAS 6466-12-2) — formula C19H32N4OS2, molecular weight 396.6; category organic chemicals.
| CAS Number | 6466-12-2 |
|---|---|
| Molecular Formula | C19H32N4OS2 |
| Molecular Weight | 396.6 |
| LogP | 6.6 |
| Category | Organic Chemicals |
1,3-Dimethyl-8-(dodecylthio)-2-thioxo-1,3,6,7-tetrahydro-2H-purin-6-one is a carbon-based organic compound with CAS registry number 6466-12-2 and molecular formula C19H32N4OS2 (molecular weight 396.6), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 6466-12-2
Its molecular formula C19H32N4OS2 comprises 19 C, 32 H, 4 N, 1 O, 2 S atoms.
Also known as: 1,3-Dimethyl-8-(dodecylthio)-2-thioxo-1,3,6,7-tetrahydro-2H-purin-6-one · 1,3-二甲基-8-(十二烷硫基)-2-硫代-1,3,6,7-四氢-2H-嘌呤-6-酮
Category: organic chemicals
The CAS registry number of 1,3-Dimethyl-8-(dodecylthio)-2-thioxo-1,3,6,7-tetrahydro-2H-purin-6-one is 6466-12-2.
Molecular formula C19H32N4OS2, molecular weight 396.6.
It is also registered under: 1,3-Dimethyl-8-(dodecylthio)-2-thioxo-1,3,6,7-tetrahydro-2H-purin-6-one, 1,3-二甲基-8-(十二烷硫基)-2-硫代-1,3,6,7-四氢-2H-嘌呤-6-酮.
Category: Organic Chemicals.
Independent reference data for 1,3-Dimethyl-8-(dodecylthio)-2-thioxo-1,3,6,7-tetrahydro-2H-purin-6-one (CAS 6466-12-2), compiled from public chemistry databases.
| CAS 号 | 6466-12-2 |
|---|---|
| PubChem CID | 97058 |
| 分子式 | C19H32N4OS2 |
| IUPAC 名称 | 8-dodecylsulfanyl-1,3-dimethyl-2-sulfanylidene-7H-purin-6-one |
| UNII（FDA） | NDU4NEG8F2 |
| Molecular Weight | 396.6 |
|---|---|
| XLogP3 | 6.6 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 12 |
| Exact Mass | 396.20175400 |
| Monoisotopic Mass | 396.20175400 |
| Topological Polar Surface Area | 110 |
| Heavy Atom Count | 26 |
Theophylline, 8-dodecylthio-2-thio-; NDU4NEG8F2; NSC-97996; 6466-12-2; DTXSID80214926; 8-(Dodecylthio)-1,2,3,9-tetrahydro-1,3-dimethyl-2-thioxo-6H-purin-6-one; RefChem:1074633; DTXCID10137417; 2-Thio-8-(N-dodecylthio)theophylline; Theophylline, (8-dodecylthio)-2-thio-; Theophylline, 8-(dodecylthio)-2-thio-; 2-Thio-8-n-dodecylthiotheophylline; NSC97996; NSC 97996; BRN 1160057; UNII-NDU4NEG8F2
1,3-二甲基-8-(十二烷硫基)-2-硫代-1,3,6,7-四氢-2H-嘌呤-6-酮 · CAS 6466-12-2 · C19H32N4OS2. UNII NDU4NEG8F2.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.