Biotin
An organic heterobicyclic compound that consists of 2-oxohexahydro-1H-thieno[3,4-d]imidazole having a valeric acid substituent attached to the tetrahydrothiophene ring. The parent of the class of biotins. — ChEBI
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Identity & molecular properties
Source-linked values| CAS number | 58-85-5 | ChEBI ↗ |
| Molecular formula | C10H16N2O3S | ChEBI ↗ |
| Molar mass | 244.316 g/mol | ChEBI ↗ |
| Monoisotopic mass | 244.08816 Da | ChEBI ↗ |
| Formal charge | 0 | ChEBI ↗ |
| ChEBI identifier | CHEBI:15956 | ChEBI ↗ |
Cross-source molecular data
PubChem| Molar mass | 244.31 g/mol | PubChem ↗ |
| Exact mass | 244.08816355 Da | PubChem ↗ |
| Computed XLogP | 0.3 | PubChem ↗ |
| Topological polar surface area (Ų) | 104 | PubChem ↗ |
| H-bond donors | 3 | PubChem ↗ |
| H-bond acceptors | 4 | PubChem ↗ |
| Rotatable bonds | 5 | PubChem ↗ |
PubChem computed values are shown separately from the ChEBI record. An exact InChIKey match was used to connect the records. Molecular descriptors do not describe a supplied product’s purity, particle size or performance.
Names & structural identifiers
Copy any identifierbiotin5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoic acidYBJHBAHKTGYVGT-ZKWXMUAHSA-N[H][C@]12CS[C@@H](CCCCC(=O)O)[C@@]1([H])NC(=O)N2InChI=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/s1Names & synonyms
Names are supplied by ChEBI. Trade names and related synonyms may describe a broader product context.
Classification & relationships
ChEBI ontologyRoles recorded in ChEBI
Database role annotations describe reported biological or chemical roles; they are not product approvals or recommendations for use.
Mass ↔ amount of substance
Calculated from sourced massUses 244.316 g/mol from ChEBI. Assumes the substance described by this record; no purity or concentration correction is applied.
Elemental composition
Theoretical mass fractionsCOSNHCalculated theoretical mass fractions from the reported formula and PubChem periodic-table atomic masses. These are not assay or purity results.
Research & patent references
Selected source associationsSources & record history
Checked 27 Sep 2026Release 255, 9 September 2026. ChEBI three-star (manually annotated) source entry. View original record ↗ · CC BY 4.0
PubCAS formats source data, connects references and computes explicitly labelled conversions. CAS cross-references are supplied by ChEBI; they do not constitute CAS verification or endorsement.