Product Name

  • Name

    VITAMIN H

  • EINECS 200-399-3
  • CAS No. 22879-79-4
  • Density 1.267g/cm3
  • Solubility
  • Melting Point 231-233 °C(lit.)
  • Formula C10H16N2O3S
  • Boiling Point 573.6°C at 760 mmHg
  • Molecular Weight 244.315
  • Flash Point 300.7°C
  • Transport Information
  • Appearance
  • Safety
  • Risk Codes
  • Molecular Structure Molecular Structure of 22879-79-4 (VITAMIN H)
  • Hazard Symbols
  • Synonyms BIOS H;BIOEPIDERM;BIOTINUM;BIOTIN(V-H);BIOTIN, IMMOBILIZED ON DEXTRAN;BIOTIN, IMMOBILIZED ON DEXTRAN-LYSINE;(+)-BIOTIN;BIOTIN
  • PSA 103.73000
  • LogP 1.45440

Vitamin H Specification

 The Vitamin H, with its cas registry number 22879-79-4, has the IUPAC name of 5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoic acid. And its product categories are various, including pharmaceuticals.

The physical properties of this chemical are as follows: (1)ACD/LogP: 0.12; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.72; (4)ACD/LogD (pH 7.4): -2.52; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 4.05; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 5; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 75.15; (13)Index of Refraction: 1.544; (14)Molar Refractivity: 60.88 cm3; (15)Molar Volume: 192.7 cm3; (16)Polarizability: 24.13 ×10-24 cm3; (17)Surface Tension: 45.9 dyne/cm; (18)Density: 1.267 g/cm3; (19)Flash Point: 300.7 °C; (20)Enthalpy of Vaporization: 93.93 kJ/mol; (21)Boiling Point: 573.6 °C at 760 mmHg; (22)Vapour Pressure: 1.19E-14 mmHg at 25°C; (23)Exact Mass: 244.088163; (24)MonoIsotopic Mass: 244.088163; (25)Topological Polar Surface Area: 104; (26)Heavy Atom Count: 16; (27)Formal Charge: 0; (28)Complexity: 298.

In addition, you could convert the following datas into the molecular structure:
(1)Canonical SMILES: C1C2C(C(S1)CCCCC(=O)O)NC(=O)N2
(2)Isomeric SMILES: C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)O)NC(=O)N2
(3)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
(4)InChIKey: YBJHBAHKTGYVGT-ZKWXMUAHSA-N 

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