Ethyl 4-amino-2-(ethylthio)-5-pyrimidinecarboxylate (CAS 778-97-2) — formula C9H13N3O2S, molecular weight 227.29; category organic chemicals.
| CAS Number | 778-97-2 |
|---|---|
| Molecular Formula | C9H13N3O2S |
| Molecular Weight | 227.29 |
| LogP | 1.8 |
| Category | Organic Chemicals |
Ethyl 4-amino-2-(ethylthio)-5-pyrimidinecarboxylate is a carbon-based organic compound with CAS registry number 778-97-2 and molecular formula C9H13N3O2S (molecular weight 227.29), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 778-97-2
Its molecular formula C9H13N3O2S comprises 9 C, 13 H, 3 N, 2 O, 1 S atoms.
Also known as: Ethyl 4-amino-2-(ethylthio)-5-pyrimidinecarboxylate · 4-氨基-2-(乙硫基)-5-嘧啶甲酸乙酯
Category: organic chemicals
The CAS registry number of Ethyl 4-amino-2-(ethylthio)-5-pyrimidinecarboxylate is 778-97-2.
Molecular formula C9H13N3O2S, molecular weight 227.29.
It is also registered under: Ethyl 4-amino-2-(ethylthio)-5-pyrimidinecarboxylate, 4-氨基-2-(乙硫基)-5-嘧啶甲酸乙酯.
Category: Organic Chemicals.
Independent reference data for Ethyl 4-amino-2-(ethylthio)-5-pyrimidinecarboxylate (CAS 778-97-2), compiled from public chemistry databases.
| CAS Registry Number | 778-97-2 |
|---|---|
| PubChem CID | 97414 |
| Molecular formula | C9H13N3O2S |
| IUPAC name | ethyl 4-amino-2-ethylsulfanylpyrimidine-5-carboxylate |
| UNII (FDA) | HMS3472J10 |
| Molecular Weight | 227.29 |
|---|---|
| XLogP3 | 1.8 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 5 |
| Exact Mass | 227.07284784 |
| Monoisotopic Mass | 227.07284784 |
| Topological Polar Surface Area | 103 |
| Heavy Atom Count | 15 |
778-97-2; 4-Amino-2-(ethylthio)-5-pyrimidinecarboxylic acid ethyl ester; Ethyl 4-amino-2-(ethylthio)pyrimidine-5-carboxylate; ethyl 4-amino-2-ethylsulfanylpyrimidine-5-carboxylate; 4-Amino-5-carbethoxy-2-ethylmercaptopyrimidine; MFCD00047375; ethyl 4-amino-2-ethylsulfanyl-pyrimidine-5-carboxylate; Ethyl 4-amino-2-(ethylthio)-5-pyrimidinecarboxylate; 4-Amino-2-ethylsulfanyl-pyrimidine-5-carboxylic acid ethyl ester; ethyl 4-amino-2-(ethylsulfanyl)pyrimidine-5-carboxylate; 5-Pyrimidinecarboxylic acid, 4-amino-2-(ethylthio)-, ethyl ester; 4-amino-2-(ethylthio)-5-pyrimidinecarboxylic ethyl ester; ethyl 4-amino-2-ethylthiopyrimidine-5-carboxylate; 4-Amino-2-(ethylthio)-5-pyrimidinecarboxylic Acid Ethyl Ester; NSC 122026; NSC122026; SCHEMBL1991090
| Reported hazard statements | H302 (100%), H312 (100%), H315 (100%), H319 (100%), H332 (100%), H335 (100%) |
|---|
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]
Ethyl 4-amino-2-(ethylthio)-5-pyrimidinecarboxylate · CAS 778-97-2 · C9H13N3O2S. UNII HMS3472J10.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 4-氨基-2-(乙硫基)-5-嘧啶甲酸乙酯