HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 697213Generated: November 3, 2026
Uracil, 5-allyl-6-methyl-2-thio-
BUTTPARK 8\02-87 · 5-Allyl-2-mercapto-6-methyl-pyrimidin-4-ol · 5-ALLYL-4-HYDROXY-2-MERCAPTO-6-METHYLPYRIMIDINE · 4(1H)-Pyrimidinone, 2,3-dihydro-6-methyl-5-(2-propen-1-yl)-2-thioxo-
https://huagongshe.com/en/chemical/697213
Identifiers & Physical Properties
| CAS No. | 102613-14-9 |
|---|
| Molecular formula | C8H10N2OS |
|---|
| Average molar mass | 182.25 g/mol |
|---|
| Monoisotopic mass | 182.05138412 g/mol |
|---|
| SMILES | C=CCc1c(C)[nH]c(=S)[nH]c1=O |
|---|
| InChIKey | IBWZVOPQOIWLAD-UHFFFAOYSA-N |
|---|
| PubChem CID | 697213 |
|---|
| DTXSID | DTXSID60145380 |
|---|
Chemical & Physical Properties
| XLogP | 1.1 |
|---|
| Topological polar surface area | 73.2 |
|---|
| Hydrogen bond donors | 2 |
|---|
| Hydrogen bond acceptors | 2 |
|---|
| Rotatable bonds | 2 |
|---|
| Heavy atoms | 12 |
|---|
| Formal charge | 0 |
|---|
| Complexity | 281 |
|---|
| Hazard symbols | Xi |
|---|
| Hazard Note | Irritant |
|---|
| Customs code | 2933599590 |
|---|
Safety & Regulations
| Customs code | 2933599590 |
|---|
| Hazard symbols | Xi |
|---|
| hazard_note | Irritant |
|---|
