2-THIOOROTIC ACID (CAS 6953-78-2) — formula C5H4N2O3S, molecular weight 172.16; category organic chemicals.
| CAS Number | 6953-78-2 |
|---|---|
| Molecular Formula | C5H4N2O3S |
| Molecular Weight | 172.16 |
| LogP | -0.6 |
| Category | Organic Chemicals |
2-THIOOROTIC ACID is a carbon-based organic compound with CAS registry number 6953-78-2 and molecular formula C5H4N2O3S (molecular weight 172.16), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 6953-78-2
Its molecular formula C5H4N2O3S comprises 5 C, 4 H, 2 N, 3 O, 1 S atoms.
Also known as: 2-THIOOROTIC ACID · 2-硫代尿嘧啶-4-羧酸
Category: organic chemicals
The CAS registry number of 2-THIOOROTIC ACID is 6953-78-2.
Molecular formula C5H4N2O3S, molecular weight 172.16.
It is also registered under: 2-THIOOROTIC ACID, 2-硫代尿嘧啶-4-羧酸.
Category: Organic Chemicals.
Independent reference data for 2-THIOOROTIC ACID (CAS 6953-78-2), compiled from public chemistry databases.
| CAS 号 | 6953-78-2 |
|---|---|
| PubChem CID | 2724199 |
| 分子式 | C5H4N2O3S |
| IUPAC 名称 | 4-oxo-2-sulfanylidene-1H-pyrimidine-6-carboxylic acid |
| Molecular Weight | 172.16 |
|---|---|
| XLogP3 | -0.6 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 1 |
| Exact Mass | 171.99426317 |
| Monoisotopic Mass | 171.99426317 |
| Topological Polar Surface Area | 111 |
| Heavy Atom Count | 11 |
6-oxo-2-thioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid; Mercaptoorotic acid; 2-Thioorotic acid; 4-Pyrimidinecarboxylic acid, 1,2,3,6-tetrahydro-6-oxo-2-thioxo-; Orotic acid, 2-thio-; 2-Thioorotic acid (VAN); NSC 39961; AI3-26587; DTXSID3064516; RefChem:100460; Orotic acid, 2-thio-(VAN); DTXCID9046520; Orotic acid, 2-thio-(VAN) (8CI); InChI=1/C5H4N2O3S/c8-3-1-2(4(9)10)6-5(11)7-3/h1H,(H,9,10)(H2,6,7,8,11; ISOQUWRYYNKKGX-UHFFFAOYSA-N; 6953-78-2
2-硫代尿嘧啶-4-羧酸 · CAS 6953-78-2 · C5H4N2O3S.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 2-硫代尿嘧啶-4-羧酸