4-Pyrimidinol, 2-mercapto- (9CI) (CAS 80275-68-9) — formula C4H4N2OS, molecular weight 128.15; category organic chemicals.
| CAS Number | 80275-68-9 |
|---|---|
| Molecular Formula | C4H4N2OS |
| Molecular Weight | 128.15 |
| LogP | -0.65 |
| Applications | Uses: CHEM INT FOR IOTHIOURACIL SODIUM- AN ANTITHYROID AGENT, MEDICATION, MEDICATION (VET), Methods of Manufacturing: CONDENSATION OF ETHYL FORMYLACETATE WITH THIOUREA, PREPD BY CONDENSING ETHYL FORMYLACETATE WITH THIOUREA: WHEELER, LIDDLE, AM CHEM J 40, 550 (1908)., U.S. Production: (1974) PROBABLY GREATER THAN 4.54X10+5 GRAMS, (1975) PROBABLY GREATER THAN 4.54X10+5 GRAMS, U.S. Imports: (1972) No Data, (1975) No Data, U.S. Exports: (1972) No Data, General Manufacturing Information: 4(1H)-Pyrimidinone, 2, 3-dihydro-2-thioxo-: ACTIVE, THIOAMIDE DERIV USED IN THIS COUNTRY ARE PROPYLTHIOURACIL, METHIMAZOLE, & METHYLTHIOURACIL. THESE DRUGS HAVE REPLACED PARENT COMPD, THIOURACIL, WHICH IS MORE TOXIC. |
| Category | Organic Chemicals |
Documented applications: Uses: CHEM INT FOR IOTHIOURACIL SODIUM- AN ANTITHYROID AGENT, MEDICATION, MEDICATION (VET), Methods of Manufacturing: CONDENSATION OF ETHYL FORMYLACETATE WITH THIOUREA, PREPD BY CONDENSING ETHYL FORMYLACETATE WITH THIOUREA: WHEELER, LIDDLE, AM CHEM J 40, 550 (1908)., U.S. Production: (1974) PROBABLY GREATER THAN 4.54X10+5 GRAMS, (1975) PROBABLY GREATER THAN 4.54X10+5 GRAMS, U.S. Imports: (1972) No Data, (1975) No Data, U.S. Exports: (1972) No Data, General Manufacturing Information: 4(1H)-Pyrimidinone, 2, 3-dihydro-2-thioxo-: ACTIVE, THIOAMIDE DERIV USED IN THIS COUNTRY ARE PROPYLTHIOURACIL, METHIMAZOLE, & METHYLTHIOURACIL. THESE DRUGS HAVE REPLACED PARENT COMPD, THIOURACIL, WHICH IS MORE TOXIC..
4-Pyrimidinol, 2-mercapto- (9CI) is a carbon-based organic compound with CAS registry number 80275-68-9 and molecular formula C4H4N2OS (molecular weight 128.15), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 80275-68-9
Its molecular formula C4H4N2OS comprises 4 C, 4 H, 2 N, 1 O, 1 S atoms.
Also known as: 4-Pyrimidinol, 2-mercapto- (9CI) · 2-巯基嘧啶-4-醇
Category: organic chemicals
The CAS registry number of 4-Pyrimidinol, 2-mercapto- (9CI) is 80275-68-9.
Molecular formula C4H4N2OS, molecular weight 128.15.
It is also registered under: 4-Pyrimidinol, 2-mercapto- (9CI), 2-巯基嘧啶-4-醇.
Recorded applications: Uses: CHEM INT FOR IOTHIOURACIL SODIUM- AN ANTITHYROID AGENT, MEDICATION, MEDICATION (VET), Methods of Manufacturing: CONDENSATION OF ETHYL FORMYLACETATE WITH THIOUREA, PREPD BY CONDENSING ETHYL FORMYLACETATE WITH THIOUREA: WHEELER, LIDDLE, AM CHEM J 40, 550 (1908)., U.S. Production: (1974) PROBABLY GREATER THAN 4.54X10+5 GRAMS, (1975) PROBABLY GREATER THAN 4.54X10+5 GRAMS, U.S. Imports: (1972) No Data, (1975) No Data, U.S. Exports: (1972) No Data, General Manufacturing Information: 4(1H)-Pyrimidinone, 2, 3-dihydro-2-thioxo-: ACTIVE, THIOAMIDE DERIV USED IN THIS COUNTRY ARE PROPYLTHIOURACIL, METHIMAZOLE, & METHYLTHIOURACIL. THESE DRUGS HAVE REPLACED PARENT COMPD, THIOURACIL, WHICH IS MORE TOXIC..
Category: Organic Chemicals.
Independent reference data for 4-Pyrimidinol, 2-mercapto- (9CI) (CAS 80275-68-9), compiled from public chemistry databases.
| CAS 号 | 80275-68-9 |
|---|---|
| PubChem CID | 1269845 |
| 分子式 | C4H4N2OS |
| IUPAC 名称 | 2-sulfanylidene-1H-pyrimidin-4-one |
| UNII（FDA） | 59X161SCYL |
| Molecular Weight | 128.15 |
|---|---|
| XLogP3 | -0.3 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 0 |
| Exact Mass | 128.00443393 |
| Monoisotopic Mass | 128.00443393 |
| Topological Polar Surface Area | 73.2 |
| Heavy Atom Count | 8 |
| LogP | -0.65 |
|---|---|
| Collision Cross Section | 119.87 Ų [M+H]+ |
2-thiouracil; Thiouracil; 141-90-2; Deracil; Antagothyroid; Antagothyroil; Nobilen; 2-thioxo-2,3-dihydropyrimidin-4(1H)-one; 2-Mercapto-4-hydroxypyrimidine; 2-Mercapto-4-pyrimidone; 4(1H)-Pyrimidinone, 2,3-dihydro-2-thioxo-; 6-Thiouracil; 2-Mercapto-4-pyrimidinol; Uracil, 2-thio-; 2-sulfanylidene-1H-pyrimidin-4-one; 4-Hydroxy-2-pyrimidinethiol
| GHS 通报统计 | 5.6% (4 / 71) |
|---|
| GHS 通报统计 | 5.6% (4 / 71) |
|---|---|
| 已通报的危害声明 | H351 (94.4%), H303, H372 |
2-巯基嘧啶-4-醇 · CAS 80275-68-9 · C4H4N2OS. UNII 59X161SCYL. LogP: -0.65; Collision Cross Section: 119.87 Ų [M+H]+.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 2-巯基嘧啶-4-醇