Cas no 15666-52-1 (Thiazolium,3-[(4-amino-2-methyl-5-pyrimidinyl)methyl]-4-methyl-5-(4,6,8,8-tetrahydroxy-4,6,8-trioxido-3,5,7-trioxa-4,6,8-triphosphaoct-1-yl)-,chloride (1:1))

Thiazolium,3-[(4-amino-2-methyl-5-pyrimidinyl)methyl]-4-methyl-5-(4,6,8,8-tetrahydroxy-4,6,8-trioxido-3,5,7-trioxa-4,6,8-triphosphaoct-1-yl)-,chloride (1:1) structure
15666-52-1 structure
Product Name:Thiazolium,3-[(4-amino-2-methyl-5-pyrimidinyl)methyl]-4-methyl-5-(4,6,8,8-tetrahydroxy-4,6,8-trioxido-3,5,7-trioxa-4,6,8-triphosphaoct-1-yl)-,chloride (1:1)
CAS No:15666-52-1
MF:C12H16N4O10P3S
MW:501.262523651123
CID:196700
PubChem ID:15938964
Update Time:2025-04-19

Thiazolium,3-[(4-amino-2-methyl-5-pyrimidinyl)methyl]-4-methyl-5-(4,6,8,8-tetrahydroxy-4,6,8-trioxido-3,5,7-trioxa-4,6,8-triphosphaoct-1-yl)-,chloride (1:1) Chemical and Physical Properties

Names and Identifiers

    • Thiazolium,3-[(4-amino-2-methyl-5-pyrimidinyl)methyl]-4-methyl-5-(4,6,8,8-tetrahydroxy-4,6,8-trioxido-3,5,7-trioxa-4,6,8-triphosphaoct-1-yl)-,chloride (1:1)
    • [[2-[3-[(4-amino-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-1-thia-3-azoniacyclopenta-2,4-dien-5-yl]ethoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxyphosphonic acid
    • 3-[(4-Amino-2-methyl-5-pyrimidinyl)methyl]-5-{2-[(hydroxy{[hydrox y(phosphonooxy)phosphoryl]oxy}phosphoryl)oxy]ethyl}-4-methyl-1,3- thiazol-3-ium
    • Thiazolium,3-[(4-amino-2-methyl-5-pyrimidinyl)methyl]-4-methyl-5-(4,6,8,8-tetrahydroxy-4,6,8-trioxido-3,5,7-trioxa-4,6,8-trip
    • 3-(4-amino-2-methyl-pyrimidin-5-ylmethyl)-4-methyl-5-(2-
    • 3-(4-Amino-2-methyl-pyrimidin-5-ylmethyl)-4-methyl-5-(2-sulfooxy-aethyl)-thiazolium-betain
    • 3-(4-Amino-2-methyl-pyrimidin-5-ylmethyl)-4-methyl-5-(2-tetrahydroxytriphosphoryloxy-aethyl)-thiazolium, Chlorid
    • 3-[(4-Amino-2-methyl-5-pyrimidinyl)methyl]-4-methyl-5-[2-(sulfooxy)ethyl]thiazolium Inner Salt
    • Thiamine Hydrogen Sulfate Ester Inner Salt
    • Thiamine Sulfate
    • Thiamintriphosphat
    • [[2-[3-[(4-amino-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-1-thia-3-azoniacyclopenta-2,4-dien-5-yl]et
    • nchembio867-comp3
    • Thiamine triphosphate
    • 15666-52-1
    • Q27126357
    • thiamine triphosphate trianion
    • thiamine triphosphate(3-)
    • CHEBI:58938
    • thiamine(1+) triphosphate(4-)
    • [[2-[3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethoxy-oxidophosphoryl]oxy-oxidophosphoryl] phosphate
    • Inchi: 1S/C12H19N4O10P3S/c1-8-11(30-7-16(8)6-10-5-14-9(2)15-12(10)13)3-4-24-28(20,21)26-29(22,23)25-27(17,18)19/h5,7H,3-4,6H2,1-2H3,(H5-,13,14,15,17,18,19,20,21,22,23)/p-3
    • InChI Key: IWLROWZYZPNOFC-UHFFFAOYSA-K
    • SMILES: S1C=[N+](CC2=CN=C(C)N=C2N)C(C)=C1CCOP(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-]

Computed Properties

  • Exact Mass: 500.97999989g/mol
  • Monoisotopic Mass: 500.97999989g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 14
  • Heavy Atom Count: 30
  • Rotatable Bond Count: 9
  • Complexity: 700
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: -2.6
  • Topological Polar Surface Area: 255?2

Thiazolium,3-[(4-amino-2-methyl-5-pyrimidinyl)methyl]-4-methyl-5-(4,6,8,8-tetrahydroxy-4,6,8-trioxido-3,5,7-trioxa-4,6,8-triphosphaoct-1-yl)-,chloride (1:1) Related Literature

Recommended suppliers
Amadis Chemical Company Limited
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Reagent
Amadis Chemical Company Limited
Shanghai Pearlk Chemicals Co., Ltd.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Shanghai Aoguang Biotechnology Co., Ltd
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Shanghai Aoguang Biotechnology Co., Ltd
Handan Zechi Trading Co., Ltd
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
PRIBOLAB PTE.LTD
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Reagent
PRIBOLAB PTE.LTD