(R)-2-(6-hydroxybenzo[d]thiazol-2-yl)-4,5-dihydrothiazole-4-carboxylic acid | CAS No. 34500-31-7

(R)-2-(6-hydroxybenzo[d]thiazol-2-yl)-4,5-dihydrothiazole-4-carboxylic acid

Basic Information

CAS Number

34500-31-7

Molecular Formula

C11H8N2O3S2

Molecular Weight

280.33 g/mol

AD

Basic Physical Properties

Boiling Point

588 ºC

Flash Point

309 ºC

Refractive Index

1.864

C1C(N=C(S1)C2=NC3=C(S2)C=C(C=C3)O)C(=O)O

InChI

InChI=1S/C11H8N2O3S2/c14-5-1-2-6-8(3-5)18-10(12-6)9-13-7(4-17-9)11(15)16/h1-3,7,14H,4H2,(H,15,16)/t7-/m0/s1

InChIKey

BJGNCJDXODQBOB-ZETCQYMHSA-N

LogP

1.9485000000000001

Topological Polar Surface Area

82.78 Ų

Hydrogen Bond Donor/Acceptor

2 / 5

Complexity

391

Synonyms & References

English

  • CHEMBL3427170
  • IWJYWBVPCGUPLO-NTQIJVKTSA-N
  • L-photinus luciferin
  • (R)-2-(6-Hydroxybenzo[d]thiazol-2-yl)-4,5-dihydrothiazole-4-carboxylic acid
  • DTXSID80493916
  • (4R)-2-(6-hydroxy-1,3-benzothiazol-2-yl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid
  • CHEBI:139036
  • SCHEMBL14307083
  • 34500-31-7
  • L-firefly luciferin
  • D(-)-LUCIFERIN
  • L-LUCIFERIN
  • ent-Photinus luciferin
  • (R)-4,5-dihydro-2-(6-hydroxy-1,3-benzothiazol-2-yl)thiazole-4-carboxylate
  • (2Z,4R)-2-(6-Oxo-1,3-benzothiazol-2(6H)-ylidene)-1,3-thiazolidine-4-carboxylic acid
  • ent-firefly luciferin
  • C21771
  • 4-Thiazolecarboxylicacid, 4,5-dihydro-2-(6-hydroxy-2-benzothiazolyl)-, (4R)-
  • LogP
  • (+)-2-(6-Hydroxy-2-benzothiazolyl)-2-thiazoline-4-carboxylic acid
  • (R)-4,5-Dihydro-2-(6-hydroxy-2-benzothiazolyl)-4-thiazolecarboxylic acid
  • (+)-Luciferin
  • (4R)-4,5-Dihydro-2-(6-hydroxy-2-benzothiazolyl)-4-thiazolecarboxylic acid

MDL Number

MFCD00076144

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