(2E)-5-[(3aS,4S,6aR)-2-Oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]-2-pentenoic acid

Basic Information

(2E)-5-[(3aS,4S,6aR)-2-Oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]-2-pentenoic acid

CAS Number

10118-85-1

Molecular Formula

C10H14N2O3S

Molecular Weight

242.3 g/mol

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Basic Physical Properties

Boiling Point

593°Cat760mmHg

Density

1.3

Flash Point

312.4°C

Refractive Index

1.567

SMILES

C1C2C(C(S1)CCC=CC(=O)O)NC(=O)N2

InChI

InChI=1S/C10H14N2O3S/c13-8(14)4-2-1-3-7-9-6(5-16-7)11-10(15)12-9/h2,4,6-7,9H,1,3,5H2,(H,13,14)(H2,11,12,15)/b4-2+/t6-,7-,9-/m0/s1

InChIKey

NZERRTYPTPRCIR-ARSLAPBQSA-N

LogP

0.5728

Topological Polar Surface Area

78.43 Ų

Hydrogen Bond Donor/Acceptor

3 / 5

Complexity

332

Classification & Uses

Chemical Classification

Pharmaceutical Products
APIs & Intermediates
Intermediates

Safety Information

Synonyms & References

English

  • U1E84J0228
  • NSC 127473
  • 2-Pentenoic acid, 5-(2,3,3aalpha,4alpha,6,6aalpha-hexahydro-2-oxo-1H-thieno(3,4-d)imidazol-4-yl)-, (+)-
  • 2-PENTENOIC ACID, 5-(HEXAHYDRO-2-OXO-1H-THIENO(3,4-D)IMIDAZOL-4-YL)-, (3AS(3A.ALPHA.,4.BETA.,6A.ALPHA.))-
  • 10118-85-1
  • U-15,965
  • DTXSID40883091
  • SCHEMBL394163
  • U-15965
  • D04827
  • Lydimycin [USAN]
  • HY-105801
  • Lidimycine
  • Biotin, alpha-dehydro-
  • Lidimycinum
  • Lidimycin [INN]
  • UNII-U1E84J0228
  • Lidimicina [INN-Spanish]
  • CS-0026677
  • Lidimycinum [INN-Latin]
  • NSC-127473
  • AKOS040747126
  • Q27290557
  • LYDIMYCIN
  • LIDIMYCIN
  • Lidimycine [INN-French]
  • Lydimycin (USAN/INN)
  • alpha-Dehydrobiotin
  • Lidimicina
  • CHEMBL3989616
  • 2-Pentenoic acid, 5-(hexahydro-2-oxo-1H-thieno(3,4-d)imidazol-4-yl)-, (3aS(3aalpha,4beta,6aalpha))-
  • NSC 127473; U 15965; -DHB; -Dehydrobiotin
  • DEHYDROBIOTIN, ALPHA
  • 2-Pentenoic acid,5-[(3aS,4S,6aR)-hexahydro-2-oxo-1H-thieno[3,4-d]imidazol-4-yl]-, (2E)-
  • Biotin, .α.-dehydro-
  • (E)-2,3-didehydro-biotin
  • 5-((3aS)-2-oxo-(3ar,6ac)-hexahydro-thieno[3,4-d]imidazol-4t-yl)-pent-2t-enoic acid
  • Lidimycin
  • Lydimycin
  • α-Dehydrobiotin
  • alpha-dehydrobiotin
  • (+)-α-trans-Dehydrobiotin
  • [E,(+)]-5-[(3aS,4S,6aR)-Hexahydro-2-oxo-1H-thieno[3,4-d]imidazol-4α-yl]-2-pentenoic acid
  • [E,(+)]-5-[(3aS,4S,6aR)-Hexahydro-2-oxo-1H-thieno[3,4-d]imidazole-4α-yl]-2-pentenoic acid

MDL_Number

MFCD31656785

CAS Number

10118-85-1

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