Products
  • Products
  • Buy offers
  • Encyclopedia
  • Msds lib
  • Synthesis
  • Reach Info
  • Suppliers
Home> Hot Product Listed 9   > 9H-Purine-6-thiol, 9-b-D-lyxofuranosyl-,2',3',5'-triacetate (8CI)
1185319-33-8 structure

9H-Purine-6-thiol, 9-b-D-lyxofuranosyl-,2',3',5'-triacetate (8CI)

Iupac Name:1-(1,3-benzothiazol-2-yl)piperidin-4-amine;hydrochloride
CAS No.:1185319-33-8
Molecular Weight:269.791
Molecular Formula:C14H12 (isomer)
Names and Identifiers
Synonyms

[3,4-diacetyloxy-5-(6-sulfanylidene-3h-purin-9-yl)oxolan-2-y NSC101763 ZINC4758494

Inchi
InChI=1S/C12H15N3S.ClH/c13-9-5-7-15(8-6-9)12-14-10-3-1-2-4-11(10)16-12;/h1-4,9H,5-8,13H2;1H
InChkey
RNHLUWVSAYXJNZ-UHFFFAOYSA-N
Canonical Smiles
C1CN(CCC1N)C2=NC3=CC=CC=C3S2.Cl
Properties
Density
1.017
Boiling Point
562.2°C at 760 mmHg
Flash Point
298.3°C
Computational chemical data
  • Molecular Weight:269.791g/mol
  • Molecular Formula:C14H12
  • Compound Is Canonicalized:True
  • Exact Mass:269.075
  • Monoisotopic Mass:269.075
  • Complexity:240
  • Rotatable Bond Count:1
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:4
  • Topological Polar Surface Area:70.4A^2
  • Heavy Atom Count:17
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:2
  • CACTVS Substructure Key Fingerprint: AAADceBzAABEAAAAAAAAAAAAAAAAAWAAAAA8QAAAAAAAAFgB8AAAHAQQAAAACCjBVgQx0bNIEAik ASRiZACD8KlhCjhJmLw4ZJiIIKLg2ZGEIAhokALIyCcQAAAAAAAAAAAAAQAAAAAAAAACAAAAAAAA AA==
Recommended Suppliers
  • Tel:+86-025-66927191 +86-025-52131256
  • Fax:
  • Tel:0086-571-88298791
  • Fax:
Recommended Suppliers
  • Tel:+86-025-66927191 +86-025-52131256
  • Fax:
  • Tel:0086-571-88298791
  • Fax:
 
<