Biotin

CAS Registry Number®

58-85-5
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CAS Name

Biotin

Molecular Formula

C10H16N2O3S

Molecular Mass

244.31

Cite this Page

Biotin.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=58-85-5 (retrieved 2024-06-18) (CAS RN: 58-85-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    232 °C (decomp)
  • Density (2)

    1.42 g/cm³

Source(s)

Other Names and Identifiers

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

InChIKey=YBJHBAHKTGYVGT-ZKWXMUAHSA-N

SMILES

C(CCCC(O)=O)[C@H]1[C@@]2([C@@](NC(=O)N2)(CS1)[H])[H]

Canonical SMILES

O=C1NC2CSC(CCCCC(=O)O)C2N1

Other Names for this Substance

  • 1H-Thieno[3,4-d]imidazole-4-pentanoic acid, hexahydro-2-oxo-, (3aS,4S,6aR)-
  • Biotin
  • 1H-Thieno[3,4-d]imidazole-4-pentanoic acid, hexahydro-2-oxo-, [3aS-(3aα,4β,6aα)]-
  • (3aS,4S,6aR)-Hexahydro-2-oxo-1H-thieno[3,4-d]imidazole-4-pentanoic acid
  • Bioepiderm

Deleted or Replaced CAS Registry Numbers

3672-05-7, 15720-24-8, 22879-79-4, 58073-87-3

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