S-[1-methyl-1-(4-methyl-5-oxo-3-cyclohexen-1-yl)ethyl] ethanethioate (CAS 93805-73-3) — formula C12H18O2S, molecular weight 226.34; category organic chemicals.
| CAS Number | 93805-73-3 |
|---|---|
| Molecular Formula | C12H18O2S |
| Molecular Weight | 226.34 |
| LogP | 2.2 |
| Category | Organic Chemicals |
S-[1-methyl-1-(4-methyl-5-oxo-3-cyclohexen-1-yl)ethyl] ethanethioate is a carbon-based organic compound with CAS registry number 93805-73-3 and molecular formula C12H18O2S (molecular weight 226.34), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 93805-73-3
Its molecular formula C12H18O2S comprises 12 C, 18 H, 2 O, 1 S atoms.
Also known as: S-[1-methyl-1-(4-methyl-5-oxo-3-cyclohexen-1-yl)ethyl] ethanethioate · S-[1-甲基-1-(4-甲基-5-氧代-3-环己烯-1-基)乙基]硫代乙酯
Category: organic chemicals
The CAS registry number of S-[1-methyl-1-(4-methyl-5-oxo-3-cyclohexen-1-yl)ethyl] ethanethioate is 93805-73-3.
Molecular formula C12H18O2S, molecular weight 226.34.
It is also registered under: S-[1-methyl-1-(4-methyl-5-oxo-3-cyclohexen-1-yl)ethyl] ethanethioate, S-[1-甲基-1-(4-甲基-5-氧代-3-环己烯-1-基)乙基]硫代乙酯.
Category: Organic Chemicals.
Independent reference data for S-[1-methyl-1-(4-methyl-5-oxo-3-cyclohexen-1-yl)ethyl] ethanethioate (CAS 93805-73-3), compiled from public chemistry databases.
| CAS 号 | 93805-73-3 |
|---|---|
| PubChem CID | 16205803 |
| 分子式 | C12H18O2S |
| IUPAC 名称 | S-[2-(4-methyl-5-oxocyclohex-3-en-1-yl)propan-2-yl] ethanethioate |
| UNII（FDA） | NS00064412 |
| Molecular Weight | 226.34 |
|---|---|
| XLogP3 | 2.2 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 3 |
| Exact Mass | 226.10275099 |
| Monoisotopic Mass | 226.10275099 |
| Topological Polar Surface Area | 59.4 |
| Heavy Atom Count | 15 |
S-[1-甲基-1-(4-甲基-5-氧代-3-环己烯-1-基)乙基]硫代乙酯 · CAS 93805-73-3 · C12H18O2S. UNII NS00064412.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.