Products
  • Products
  • Buy offers
  • Encyclopedia
  • Msds lib
  • Synthesis
  • Reach Info
  • Suppliers
Home> Hot Product Listed M   > MOLPORT-000-631-405
49791-86-8 structure

MOLPORT-000-631-405

CAS No.:49791-86-8
Molecular Weight:205.64208
Molecular Formula:C20H15N3O3S3 (isomer)
Names and Identifiers
Synonyms

AC1MGTVF AKOS002378618 AKOS016370434 ST50490187

Inchi
InChI=1/C7H11N3O2.ClH/c1-5(2)7-8-4-6(9(7)3)10(11)12;/h4-5H,1-3H3;1H
Canonical Smiles
CC(C)C1=[N+](C(=CN1)[N+](=O)[O-])C.[Cl-]
Isomers Smiles
CC(C)C1=[N+](C(=CN1)[N+](=O)[O-])C.[Cl-]
Computational chemical data
  • Molecular Weight:205.64208g/mol
  • Molecular Formula:C20H15N3O3S3
  • Exact Mass:205.061804
  • Monoisotopic Mass:205.061804
  • Complexity:178
  • Rotatable Bond Count:1
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:3
  • Topological Polar Surface Area:65.5
  • Heavy Atom Count:13
  • 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
Recommended Suppliers
  • Tel:+49-9402-9336 0
  • Fax:+49-9402-933 613
Recommended Suppliers
  • Tel:+49-9402-9336 0
  • Fax:+49-9402-933 613
 
<