pyrimidine-1-thiol (CAS 53745-18-9) — formula C4H4N2S, molecular weight 112.16; category organic chemicals.
pyrimidine-1-thiol is a carbon-based organic compound with CAS registry number 53745-18-9 and molecular formula C4H4N2S (molecular weight 112.16), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 53745-18-9
Its molecular formula C4H4N2S comprises 4 C, 4 H, 2 N, 1 S atoms.
Also known as: pyrimidine-1-thiol · 2-Mercaptopyrimidine
Category: organic chemicals
The CAS registry number of pyrimidine-1-thiol is 53745-18-9.
Molecular formula C4H4N2S, molecular weight 112.16.
It is also registered under: pyrimidine-1-thiol, 2-Mercaptopyrimidine.
Category: Organic Chemicals.
Public-database records for pyrimidine-1-thiol (CAS 53745-18-9), reproduced here for independent cross-checking.
| 已通报的危害声明 | H315 (100%), H319 (100%), H335 (85.7%) |
|---|
| LogP | -0.97 |
|---|
| CAS 号 | 53745-18-9 |
|---|---|
| PubChem CID | 1550489 |
| 分子式 | C4H4N2S |
| IUPAC 名称 | 1H-pyrimidine-2-thione |
| UNII（FDA） | T72Z5M7P5T |
2-Mercaptopyrimidine; 1450-85-7; Pyrimidine-2-thiol; 2-Thiopyrimidine; DTXSID6049220; CHEBI:53576; NSC-48073; NSC-193522; T72Z5M7P5T; DTXCID8029076; 2-mercapto pyrimidine; RefChem:870945; 215-917-3; 2-Pyrimidinethiol; Pyrimidine-2(1H)-thione; 2(1H)-Pyrimidinethione
| 分子量 | 112.16 |
|---|---|
| XLogP3 | -1.1 |
| 氢键供体数 | 1 |
| 氢键受体数 | 1 |
| 可旋转键数 | 0 |
| 精确质量 | 112.00951931 |
| 单同位素质量 | 112.00951931 |
| 拓扑极性表面积 | 56.5 |
| 重原子数 | 7 |
| 形式电荷 | 0 |
1-嘧啶硫醇 · CAS 53745-18-9 · C4H4N2S. UNII T72Z5M7P5T. LogP: -0.97.
Source: PubChem / Wikidata; the batch COA governs where values differ.
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