Cas no 22879-79-4 (VITAMIN H)

VITAMIN H structure
VITAMIN H structure
Product Name:VITAMIN H
CAS No:22879-79-4
MF:C10H16N2O3S
MW:244.310641288757
CID:825348
PubChem ID:253
Update Time:2025-04-19

VITAMIN H Chemical and Physical Properties

Names and Identifiers

    • VITAMIN H
    • D-BIOTIN
    • SMR000135188
    • HMS500P13
    • 5-(2-Oxo-hexahydro-thieno[3,4-d]imidazol-4-yl)-pentanoic acid
    • BRD-A36603537-001-12-3
    • 5-(2-Oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)pentanoic acid, cis-(+)- #
    • Spectrum_000225
    • DB-113456
    • HMS2092H08
    • component of Deca-Vi-Sol (Salt/Mix)
    • AKOS000121079
    • 57378-70-8
    • 1H-Thieno[3, hexahydro-2-oxo-, [3aS-(3a.alpha.,4.beta.,6a.alpha.)]-
    • DivK1c_000311
    • SBI-0051929.P002
    • KBioSS_000705
    • NSC758208
    • Spectrum5_001139
    • SR-01000665783-3
    • DTXSID00859030
    • IDI1_000311
    • 1H-Thieno[3,4-d]imidazole-4-pentanoicacid, hexahydro-2-oxo-, (3aR,4R,6aS)-rel-
    • dl-Biotin
    • SPECTRUM1503009
    • Spectrum2_001510
    • CHEMBL1527083
    • component of Deca-Vi-Sol
    • KBio3_001549
    • NCGC00094984-01
    • DS-14362
    • EN300-23975
    • 5-(2-Oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)pentanoicacid
    • NSC63865
    • NCGC00094984-04
    • SDCCGMLS-0066741.P001
    • SY010836
    • SR-01000665783-4
    • NCGC00094984-02
    • BRD-A36603537-001-07-3
    • KBio2_003273
    • KBio2_005841
    • HMS1921P22
    • NINDS_000311
    • SR-01000665783
    • BRD-A36603537-001-13-1
    • KBioGR_001382
    • MLS000530211
    • (3aR,4R,6aS)-Hexahydro-2-oxo-1H-thieno[3,4-d]imidazole-4-pentanoic acid
    • 5-(2-Oxo-hexahydro-thieno[3,4-d]imidazol-6-yl)-pentanoic acid, AldrichCPR
    • AB00052453_12
    • 22879-79-4
    • BSPBio_002329
    • 5-(2-Oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)pentanoic acid
    • SPBio_001559
    • 1H-Thieno[3,4-d]imidazole-4-pentanoic acid, hexahydro-2-oxo-, [3as-(3a.alpha.,4.beta.,6a.alpha.)]-
    • CCG-38885
    • Q27166951
    • AKOS016344011
    • 5-(2-Oxo-hexahydro-thieno[3,4-d]imidazol-6-yl)-pentanoic acid
    • SCHEMBL59420
    • 1217850-77-5
    • CHEBI:95156
    • Pharmakon1600-01503009
    • Spectrum3_000665
    • MLS000736711
    • ALBB-025845
    • 5-{2-oxo-hexahydro-1H-thieno[3,4-d]imidazolidin-4-yl}pentanoic acid
    • KBio1_000311
    • Spectrum4_001061
    • SB67329
    • KBio2_000705
    • NSC-758208
    • 22377-59-9
    • NS00005403
    • NCGC00094984-03
    • (3aR,4S,6aS)-Hexahydro-2-oxo-1H-thieno[3,4-d]imidazole-4-pentanoic acid
    • 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)
    • InChI Key： YBJHBAHKTGYVGT-UHFFFAOYSA-N
    • SMILES： S1CC2C(C1CCCCC(=O)O)NC(N2)=O

Computed Properties

  • Exact Mass: 244.08816355g/mol
  • Monoisotopic Mass: 244.08816355g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 5
  • Complexity: 298
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 3
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 0.3
  • Topological Polar Surface Area: 104?2

Experimental Properties

  • Melting Point: 231-233?°C(lit.)
  • Solubility: H2O: 0.2?mg/mL Solubility increases with addition of 1?N NaOH.

VITAMIN H Security Information

  • WGK Germany：1
  • FLUKA BRAND F CODES：8
  • RTECS：XJ9088200

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