![1H-Thieno[3,4-d]imidazole-4-pentanoic acid, hexahydro-2-oxo-, 5-oxide, [3as-(3a.alpha.,4.beta.,6a.alpha.)]-](/api/spectrum/7PYRYYDWyqv/structure.png?h=300&w=458 "1H-Thieno[3,4-d]imidazole-4-pentanoic acid, hexahydro-2-oxo-, 5-oxide, [3as-(3a.alpha.,4.beta.,6a.alpha.)]-")
| SpectraBase Compound ID | bhBybx5Oeo |
|---|---|
| InChI | InChI=1S/C10H16N2O4S/c13-8(14)4-2-1-3-7-9-6(5-17(7)16)11-10(15)12-9/h6-7,9H,1-5H2,(H,13,14)(H2,11,12,15) |
| InChIKey | KCSKCIQYNAOBNQ-UHFFFAOYSA-N |
| Mol Weight | 260.31 g/mol |
| Molecular Formula | C10H16N2O4S |
| Exact Mass | 260.083078 g/mol |
Mass Spectrum (GC)
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 7PYRYYDWyqv |
|---|---|
| Name | 1H-Thieno[3,4-d]imidazole-4-pentanoic acid, hexahydro-2-oxo-, 5-oxide, [3as-(3a.alpha.,4.beta.,6a.alpha.)]- |
| CAS Registry Number | 10406-89-0 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C10H16N2O4S |
| InChI | InChI=1S/C10H16N2O4S/c13-8(14)4-2-1-3-7-9-6(5-17(7)16)11-10(15)12-9/h6-7,9H,1-5H2,(H,13,14)(H2,11,12,15) |
| InChIKey | KCSKCIQYNAOBNQ-UHFFFAOYSA-N |
| Molecular Weight | 260.308 g/mol |
| SMILES | OC(CCCCC1S(CC2C1NC(=O)N2)=O)=O |
| SPLASH | splash10-000t-7900000000-f8a5ff56454a7f7af578 |
| Source of Spectrum | AE-244-1395-3 |
| Synonyms | Biotin, 5-oxide, (+)- 5-(5-Oxido-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)pentanoic acid (+)-Biotin (+)-sulfoxide 1H-thieno(3,4-d)imidazole-4-pentanoic acid, hexahydro-2-oxo-, 5-oxide, (3aS,4S,5S,6aR)- 1H-thieno(3,4-d)imidazole-4-pentanoic acid, hexahydro-2-oxo-, 5-oxide, (3aS-(3aalpha,4beta,5alpha,6aalpha))- 5-(2,5-diketo-1,3,3a,4,6,6a-hexahydrothien[3,4-d]imidazol-4-yl)valeric acid 5-(2,5-dioxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanoic acid 5-[2,5-bis(oxidanylidene)-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoic acid Biotin d-sulfoxide Biotin sulfoxide d-Biotin-d-sulfoxide |
| Wiley ID | 1263170 |