Molecular properties
- Formula
- C10H16N2O3S
- Molar mass
- 244.32 g·mol−1
- Exact mass
- 244.0882 Da
- 4
- PubChem CID
- 171548
Molecule record
5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoic acid
C10H16N2O3S
244.32 g/mol
Loading structure
Functional groups
Alkane / alkyl carbon
Amide
Carboxylic acid
Secondary amine
Sulfide
Physical properties
No source-backed physical properties are curated for this molecule yet.
Common names and synonyms
- (+)-Biotin
- 1H-thieno[3,4-d]imidazole-4-pentanoic acid, hexahydro-2-oxo-, (3aS,4S,6aR)-
- 5-((3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)pentanoic acid
- 58-85-5
- Bioepiderm
- Bios II
- Biotina
- Biotine
Show all 24 synonyms
- Biotinum
- CHEBI:15956
- DTXSID7022679
- Factor S
- Factor S (vitamin)
- Injacom H
- NSC-63865
- Ritatin
- Vitamin B7
- Vitamin Bw
- biotin
- cis-Hexahydro-2-oxo-1H-thieno(3,4)imidazole-4-valeric acid
- cis-Tetrahydro-2-oxothieno(3,4-d)imidazoline-4-valeric acid
- coenzyme R
- d-biotin
- vitamin H
Structure identifiers
- Canonical SMILES
- O=C(O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21
- Isomeric SMILES
- C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)O)NC(=O)N2
- InChI
- InChI=1S/C10H16N2O3S/c13-8(14)4-2-1-3-7-9-6(5-16-7)11-10(15)12-9/h6-7,9H,1-5H2,(H,13,14)(H2,11,12,15)/t6-,7-,9-/m0/s1
- InChIKey
- YBJHBAHKTGYVGT-ZKWXMUAHSA-N
- PubChem CID
- 171548
Spectroscopy
Tabs appear only for spectra stored with clear provenance.
No redistributable or simulated spectroscopy record is attached yet.
Simulated NMR
On-demand educational prediction for 5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoic acid; not experimental data.
Simulated EI mass spectrum
On-demand educational fragmentation for 5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoic acid; not experimental data.
Sources
Molecule identity
Retrieved 8/20/2026. Reuse status is summarized by the badge; open the source for full details.