2-[(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)sulfanyl]acetic acid (CAS 82331-12-2) — formula C9H10N4O4S, molecular weight 270.27; category organic chemicals.
| CAS Number | 82331-12-2 |
|---|---|
| Molecular Formula | C9H10N4O4S |
| Molecular Weight | 270.27 |
| LogP | 0.4 |
| Category | Organic Chemicals |
2-[(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)sulfanyl]acetic acid is a carbon-based organic compound with CAS registry number 82331-12-2 and molecular formula C9H10N4O4S (molecular weight 270.27), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 82331-12-2
Its molecular formula C9H10N4O4S comprises 9 C, 10 H, 4 N, 4 O, 1 S atoms.
Also known as: 2-[(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)sulfanyl]acetic acid · 2-[(1,3-二甲基-2,6-二氧代-7H-嘌呤-8-基)硫基]乙酸
Category: organic chemicals
The CAS registry number of 2-[(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)sulfanyl]acetic acid is 82331-12-2.
Molecular formula C9H10N4O4S, molecular weight 270.27.
It is also registered under: 2-[(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)sulfanyl]acetic acid, 2-[(1,3-二甲基-2,6-二氧代-7H-嘌呤-8-基)硫基]乙酸.
Category: Organic Chemicals.
Independent reference data for 2-[(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)sulfanyl]acetic acid (CAS 82331-12-2), compiled from public chemistry databases.
| CAS 号 | 82331-12-2 |
|---|---|
| PubChem CID | 229730 |
| 分子式 | C9H10N4O4S |
| IUPAC 名称 | 2-[(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)sulfanyl]acetic acid |
| Molecular Weight | 270.27 |
|---|---|
| XLogP3 | 0.4 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 3 |
| Exact Mass | 270.04227599 |
| Monoisotopic Mass | 270.04227599 |
| Topological Polar Surface Area | 132 |
| Heavy Atom Count | 18 |
82331-12-2; 2-[(1,3-dimethyl-2,6-dioxo-2,3,6,9-tetrahydro-1H-purin-8-yl)sulfanyl]acetic acid; 2-[(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)sulfanyl]acetic acid; 2-((1,3-Dimethyl-2,6-dioxo-2,3,6,9-tetrahydro-1H-purin-8-yl)thio)acetic acid; Acetic acid,2-[(2,3,6,9-tetrahydro-1,3-dimethyl-2,6-dioxo-1H-purin-8-yl)thio]-; NSC23591; ChemDiv1_016650; Oprea1_600221; MLS004820192; SCHEMBL22521857; HMS634E18; DTXSID30281961; HDA33112; NSC-23591; AKOS000194383; SMR003523768
2-[(1,3-二甲基-2,6-二氧代-7H-嘌呤-8-基)硫基]乙酸 · CAS 82331-12-2 · C9H10N4O4S.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.