4-octylsulfanyl-1,1-dioxothiophen-3-one
Modify Date: 2025-09-14 18:48:25
4-octylsulfanyl-1,1-dioxothiophen-3-one structure
|
Common Name | 4-octylsulfanyl-1,1-dioxothiophen-3-one | ||
|---|---|---|---|---|
| CAS Number | 79552-45-7 | Molecular Weight | 276.41500 | |
| Density | N/A | Boiling Point | N/A | |
| Molecular Formula | C12H20O3S2 | Melting Point | N/A | |
| MSDS | N/A | Flash Point | N/A | |
| Name | 4-octylsulfanyl-1,1-dioxothiophen-3-one |
|---|---|
| Synonym | More Synonyms |
| Molecular Formula | C12H20O3S2 |
|---|---|
| Molecular Weight | 276.41500 |
| Exact Mass | 276.08500 |
| PSA | 84.89000 |
| LogP | 3.99980 |
| InChIKey | ZLXZHKPPVQVLLJ-UHFFFAOYSA-N |
| SMILES | CCCCCCCCSC1=CS(=O)(=O)CC1=O |
|
~90%
4-octylsulfanyl... CAS#:79552-45-7 |
| Literature: Tolstikov, G. A.; Novitskaya, N. N.; Shul'ts, E. E. Journal of Organic Chemistry USSR (English Translation), 1983 , vol. 19, p. 1447 - 1452 Zhurnal Organicheskoi Khimii, 1983 , vol. 19, # 8 p. 1636 - 1641 |
| Precursor 1 | |
|---|---|
| DownStream 0 | |
| InChI=1/C12H20O3S2/c1-2-3-4-5-6-7-8-16-12-10-17(14,15)9-11(12)13/h10H,2-9H2,1H3 |
| 3-octylthio-4-oxo-4,5-dihydrothiophene 1,1-dioxide |
| ZLXZHKPPVQVLLJ-UHFFFAOYSA |
| 3(2H)-Thiophenone,4-(octylthio)-,1,1-dioxide |