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Home> Encyclopedia > Hot Product Listed 5   > 5-Thiazolecarboxylicacid, 2-(3-formyl-4-hydroxyphenyl)-4-methyl-, ethyl ester
161798-01-2 structure

5-Thiazolecarboxylicacid, 2-(3-formyl-4-hydroxyphenyl)-4-methyl-, ethyl ester

Iupac Name:ethyl (2Z)-2-(3-formyl-4-oxocyclohexa-2,5-dien-1-ylidene)-4-methyl-3H-1,3-thiazole-5-carboxylate
CAS No.:161798-01-2
EINECS(EC#): 692-179-2
Molecular Weight:291.321
Molecular Formula:C14H13NO4S (isomer)
Names and Identifiers
Synonyms

161798-01-2 2-(3-forMyl-4-hydroxyphenyl)-4-Methyl-5-Thiazolecarboxylicacid ethyl ester 2-(3-Formyl-4-hydroxy-phenyl)-4-methyl-thiazole-5-carboxylic acid ethyl ester 2-(3-formyl-4-hydroxyphenyl)-4-methylthiazole-5-carboxylic acid ethyl ester 4CH-008823 5-carboxylato-1-ethyl-2-(3-forMyl-4-h 5-carboxylato-1-ethyl-2-(3-forMyl-4-hydroxyphenyl)-4-Methyl-1H-1$l^{4},3-thiazol-1-yl 5-thiazolecarboxylic acid, 2-(3-formyl-4-hydroxyphenyl)-4-methyl-, ethyl ester 5-thiazolecarboxylic acid,2-(3-formyl-4-hydroxyphenyl)-4-methyl-,ethyl ester 798E012 AB0005332 AC-5909 ACT06263 AJ-100002 AK-39090 AKOS015897623 AM20090757 AN-6794 ANW-45559 AX8162504 BCP23103 CE-698 CJ-19951 CS-W022643 CTK4D0962 DB-002199 DS-1887 ethyl (2E)-2-(3-formyl-4-oxo-cyclohexa-2,5-dien-1-ylidene)-4-methyl-3H-thiazole-5-carboxylate Ethyl 2-(3-Formyl-4-Hydroxy Phenyl)-4-Methyl Thiaz ethyl 2-(3-formyl-4-hydroxy phenyl)-4-methyl thiazole -5- carboxylate ethyl 2-(3-formyl-4-hydroxyphenyl)-4-methyl thiazole-5- carboxylate ethyl 2-(3-formyl-4-hydroxyphenyl)-4-methyl thiazole-5-carboxylate ethyl 2-(3-formyl-4-hydroxyphenyl)-4-methyl-1,3-thiazole-5-carboxylate Ethyl 2-(3-forMyl-4-hydroxyphenyl)-4-Methyl-5-Thiazolecarboxylate ethyl 2-(3-formyl-4-hydroxyphenyl)-4-methylthiazole-5-carboxylate ethyl-2-(3-formyl-4-hydroxyphenyl)-4-methyl-5-thiazole carboxylate Ethyl2-(3-formyl-4-hydroxyphenyl)-4-methylthiazole-5-carboxylate Febuxostat Impurity 1 FT-0657500 I09-1306 KB-02568 KB-50752 KS-00000HZA mfcd13194810 MFCD13194810 (95%) MOLPORT-009-199-844 MP-0382 NJRGQNNSIAFIJC-UHFFFAOYSA-N OR301130 Q-103512 QC-6291 RP17957 SBB066595 SC-27567 SCHEMBL454793 ST24030455 SY110916 Thiazolecarboxylicacid,2-(3-forMyl-4-hydroxyphenyl)-4-Methyl-,ethylester TX-012356 W3517 ZINC39351849 ZX-RL000408

Inchi
InChI=1S/C14H13NO4S/c1-3-19-14(18)12-8(2)15-13(20-12)9-4-5-11(17)10(6-9)7-16/h4-7,15H,3H2,1-2H3/b13-9-
InChkey
UIJOKDCOTANGQI-LCYFTJDESA-N
Canonical Smiles
CCOC(=O)C1=C(NC(=C2C=CC(=O)C(=C2)C=O)S1)C
Isomers Smiles
CCOC(=O)C1=C(N=C(S1)C2=CC(=C(C=C2)O)C=O)C
Properties
Density
1.335
Boiling Point
446.7 °C at 760 mmHg
Refractive Index
1.625
Flash Point
223.9 °C
HS Code
2934100090
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Not classified.

2.2 GHS label elements, including precautionary statements

Pictogram(s) No symbol.
Signal word

No signal word.

Hazard statement(s)

none

Precautionary statement(s)
Prevention

none

Response

none

Storage

none

Disposal

none

2.3 Other hazards which do not result in classification

none

Precursor and Product
Computational chemical data
  • Molecular Weight:291.321g/mol
  • Molecular Formula:C14H13NO4S
  • Compound Is Canonicalized:True
  • Exact Mass:291.057
  • Monoisotopic Mass:291.057
  • Complexity:611
  • Rotatable Bond Count:4
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:6
  • Topological Polar Surface Area:97.8A^2
  • Heavy Atom Count:20
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:1
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
  • CACTVS Substructure Key Fingerprint: AAADccByOABAAAAAAAAAAAAAAAAAAQAAAAAgAAAAAAAAAAAAAAAAHgQQAAAADAyhwAICCALABAiI AqzSyAAAAABgABAICAEAAEgIBBAIIQACEAAAkAAIocIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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