Cas no 119439-06-4 (Benzothiazolium, 3-methyl-, chloride)

Benzothiazolium, 3-methyl-, chloride structure
119439-06-4 structure
Product Name:Benzothiazolium, 3-methyl-, chloride
CAS No:119439-06-4
MF:C10H16N5O13P3
MW:507.181024551392
CID:1211487
PubChem ID:5957
Update Time:2025-04-20

Benzothiazolium, 3-methyl-, chloride Chemical and Physical Properties

Names and Identifiers

    • Benzothiazolium, 3-methyl-, chloride
    • 3-Methylbenzo[d]thiazol-3-iuM chloride
    • 1m83
    • A831137
    • Ara-ATP
    • 56-65-5
    • EN300-1073142
    • 1kxp
    • CHEMBL14249
    • ADENOSINE TRIPHOSPHATE [MI]
    • 2fgh
    • L-Carnitine-d9; Adenosine triphosphate; Adenosine 5'-triphosphate; ATP; Triphosphaden
    • Atriphos
    • [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] phosphono hydrogen phosphate
    • D08646
    • BDBM50366480
    • DB00171
    • adenosine-triphosphate
    • 8L70Q75FXE
    • 1xsc
    • Adenosine 5'-(tetrahydrogen triphosphate)
    • adenosine-5'-triphosphate
    • [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
    • bmse000854
    • ADENOSINE TRIPHOSPHATE [WHO-DD]
    • DB-022415
    • BRD-A31990649-304-02-3
    • Adenosine, 5'-(tetrahydrogen triphosphate)
    • bmse000006
    • 1b39
    • 1b38
    • Adynol
    • adenosine 5' triphosphate
    • Triphosphaden
    • MFCD00065467
    • [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl (hydroxy-phosphonooxyphosphoryl) hydrogen phosphate
    • Atipi , ATP disodium salt hydrate , Triphosphoric acid adenosine ester , Ara-ATP , Triphosphaden , Adenosine triphosphate;Ara-ATP , Adenosine triphosphate
    • W-105506
    • adenosine-5'-triphosphoric acid
    • BDBM2
    • Adenosine 5'-triphosphate
    • 1maw
    • Adenylpyrophosphoric acid
    • 9H-purin-6-amine, 9-[5-O-[hydroxy[[hydroxy(phosphonooxy)phosphinyl]oxy]phosphinyl]
    • DTXCID302559
    • 3h-adenosine triphosphate
    • Adenosine 5'-triphosphoric acid
    • EINECS 200-283-2
    • Bio1_000895
    • Adephos
    • [[[(2R,3S,4R,5R)-5-(6-Aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxyphosphonic acid
    • A9788C43-4BC5-46E2-8560-41C5FA7D3AA3
    • AKOS022179934
    • CS-7674
    • ADENOSINE TRIPHOSPHATE [MART.]
    • Triphosphoric acid adenosine ester
    • Ado-5'-P-P-P
    • Glucobasin
    • 1t44
    • CAS-56-65-5
    • ((2R,3S,4R,5R)-5-(6-Amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl tetrahydrogen triphosphate
    • Triadenyl
    • Adetol
    • GTPL1713
    • Bio1_001384
    • UNII-8L70Q75FXE
    • 1vjd
    • 1mau
    • Tox21_112044
    • ATP
    • D70159
    • 119439-06-4
    • Adenosine 5'-triphosphorate
    • 9-beta-D-Arabinofuranosyladenine 5'-triphosphate
    • NS00074063
    • Adenosine 5'-triphosphate; Triphosphaden
    • 2cbz
    • SCHEMBL8979
    • ({[({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)phosphonic acid
    • BRD-A31990649-304-03-1
    • DTXSID6022559
    • Atipi
    • Epitope ID:135612
    • Adenosine triphosphate/ATP
    • 126339-06-8
    • Myotriphos
    • C00002
    • AC-32151
    • AMY22292
    • Bio1_000406
    • Fosfobion
    • Striadyne
    • C10H16N5O13P3
    • Adenosintriphosphorsaeure
    • 1gz3
    • 1gz4
    • 1r10
    • HY-B2176
    • Adenosine triphosphate
    • CHEBI:15422
    • 1r0x
    • 9H-Purin-6-amine, 9-[5-O-[hydroxy[[hydroxy(phosphonooxy)phosphinyl]oxy]phosphinyl]-.beta.-D-ribofuranosyl]-
    • Triphosaden
    • Adenylpyrophosphorate
    • H4atp
    • Cardenosine
    • 51963-61-2
    • 1vjc
    • Q80863
    • [(2R,3S,4R,5R)-5-(6-Aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl (hydroxy-phosphonooxyphosphoryl) hydrogen phosphate;((2R,3S,4R,5R)-5-(6-Amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl tetrahydrogen triphosphate
    • AS-19204
    • ATP (nucleotide)
    • Adenosine-5'-(tetrahydrogen triphosphate)
    • Triphosadenine (DCF)
    • ADENOSINE TRIPHOSPHATE [VANDF]
    • SBI-0635025.0002
    • adenylpyrophosphate
    • s5260
    • NCGC00163309-01
    • 5'-Atp
    • 1yid
    • 5'-(tetrahydrogen triphosphate) Adenosine
    • bmse000993
    • 1ST1534D9
    • 1y8p
    • -beta-D-ribofuranosyl]-
    • Phosphobion
    • Inchi: 1S/C10H16N5O13P3/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(26-10)1-25-30(21,22)28-31(23,24)27-29(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
    • InChI Key: ZKHQWZAMYRWXGA-KQYNXXCUSA-N
    • SMILES: P(=O)(O)(OP(=O)(O)OP(=O)(O)O)OC[C@@H]1[C@H]([C@H]([C@H](N2C=NC3C(N)=NC=NC2=3)O1)O)O

Computed Properties

  • Exact Mass: 506.99574658g/mol
  • Monoisotopic Mass: 506.99574658g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 7
  • Hydrogen Bond Acceptor Count: 17
  • Heavy Atom Count: 31
  • Rotatable Bond Count: 8
  • Complexity: 800
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 4
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: -5.7
  • Topological Polar Surface Area: 279?2
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