Cas no 23883-45-6 (Thiazolium,3-[(4-amino-2-methyl-5-pyrimidinyl)methyl]-4-methyl-5-(4,6,6-trihydroxy-4,6-dioxido-3,5-dioxa-4,6-diphosphahex-1-yl)-,chloride, monohydrochloride (9CI))

Thiazolium,3-[(4-amino-2-methyl-5-pyrimidinyl)methyl]-4-methyl-5-(4,6,6-trihydroxy-4,6-dioxido-3,5-dioxa-4,6-diphosphahex-1-yl)-,chloride, monohydrochloride (9CI) structure
23883-45-6 structure
Product Name:Thiazolium,3-[(4-amino-2-methyl-5-pyrimidinyl)methyl]-4-methyl-5-(4,6,6-trihydroxy-4,6-dioxido-3,5-dioxa-4,6-diphosphahex-1-yl)-,chloride, monohydrochloride (9CI)
CAS No:23883-45-6
MF:C12H20Cl2N4O7P2S
MW:497.228321075439
CID:268104
PubChem ID:198017
Update Time:2025-04-19

Thiazolium,3-[(4-amino-2-methyl-5-pyrimidinyl)methyl]-4-methyl-5-(4,6,6-trihydroxy-4,6-dioxido-3,5-dioxa-4,6-diphosphahex-1-yl)-,chloride, monohydrochloride (9CI) Chemical and Physical Properties

Names and Identifiers

    • Thiazolium,3-[(4-amino-2-methyl-5-pyrimidinyl)methyl]-4-methyl-5-(4,6,6-trihydroxy-4,6-dioxido-3,5-dioxa-4,6-diphosphahex-1-yl)-,chloride, monohydrochloride (9CI)
    • 2-[3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethyl phosphono hydrogen phosphate,chloride,hydrochloride
    • Thiazolium,3-[(4-amino-2-methyl-5-pyrimidinyl)methyl]-4-methyl-5-(4,6,6-trihydroxy-4,6-dioxido-3,5-dioxa-4,6-diphosphahex-1-y
    • Cocarboxylase dihydrochloride
    • U9TBV3W359
    • DTXSID4058736
    • Thiamine, diphosphoric hydrochloride ester
    • Thiamine diphosphate hydrochloride
    • SCHEMBL991343
    • Thiazolium, 3-((4-amino-2-methyl-5-pyrimidinyl)methyl)-4-methyl-5-(4,6,6-trihydroxy-4,6-dioxido-3,5-dioxa-4,6-diphosphahex-1-yl)-, chloride, monohydrochloride
    • Cocarboxylase hydrochloride
    • D07739
    • UNII-U9TBV3W359
    • 3-((4-Amino-2-methyl-5-pyrimidinyl)methyl)-4-methyl-5-(4,6,6-trihydroxy-4,6-dioxido-3,5-dioxa-4,6-diphosphahex-1-yl)thiazolium chloride, monohydrochloride
    • Q27290973
    • Bivitasi (TN)
    • Thiamine diphosphate HCl
    • Cocarboxylase monohydrochloride
    • thiamine pyrophosphate hydrochloride
    • Cocarboxylase chloride hydrochloride
    • 23883-45-6
    • Thiamine, trihydrogen pyrophosphate (ester), monohydrochloride
    • 3-((4-Amino-2-methylpyrimidin-5-yl)methyl)-5-(2-((hydroxy(phosphonooxy)phosphoryl)oxy)ethyl)-4-methylthiazol-3-ium chloride hydrochloride
    • THIAZOLIUM, 3-((4-AMINO-2-METHYL-5-PYRIMIDINYL)METHYL)-4-METHYL-5-(4,6,6-TRIHYDROXY-4,6-DIOXIDO-3,5-DIOXA-4,6-DIPHOSPHAHEX-1-YL)-, CHLORIDE, HYDROCHLORIDE (1:1:1)
    • Inchi： 1S/C12H18N4O7P2S.2ClH/c1-8-11(3-4-22-25(20,21)23-24(17,18)19)26-7-16(8)6-10-5-14-9(2)15-12(10)13;;/h5,7H,3-4,6H2,1-2H3,(H4-,13,14,15,17,18,19,20,21);2*1H
    • InChI Key： QTOYIDGNARHVRO-UHFFFAOYSA-N
    • SMILES： Cl.[Cl-].S1C=[N+](CC2=CN=C(C)N=C2N)C(C)=C1CCOP(=O)(O)OP(=O)(O)O

Computed Properties

  • Exact Mass: 476.84203
  • Monoisotopic Mass: 495.99
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 5
  • Hydrogen Bond Acceptor Count: 12
  • Heavy Atom Count: 28
  • Rotatable Bond Count: 8
  • Complexity: 568
  • Covalently-Bonded Unit Count: 3
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 197?2

Experimental Properties

  • Boiling Point: °Cat760mmHg
  • Flash Point: °C
  • PSA: 164.26
  • LogP: 2.81400

Thiazolium,3-[(4-amino-2-methyl-5-pyrimidinyl)methyl]-4-methyl-5-(4,6,6-trihydroxy-4,6-dioxido-3,5-dioxa-4,6-diphosphahex-1-yl)-,chloride, monohydrochloride (9CI) Related Literature

Related Categories

23883-45-6 (Thiazolium,3-[(4-amino-2-methyl-5-pyrimidinyl)methyl]-4-methyl-5-(4,6,6-trihydroxy-4,6-dioxido-3,5-dioxa-4,6-diphosphahex-1-yl)-,chloride, monohydrochloride (9CI)) Related Products

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