Products
  • Products
  • Buy offers
  • Encyclopedia
  • Msds lib
  • Synthesis
  • Reach Info
  • Suppliers
Home> Hot Product Listed 4   > 4-Thiazolidinone,5-[(5-bromo-1H-indol-3-yl)methylene]-3-(2-propen-1-yl)-2-thioxo-
1179360-89-4 structure

4-Thiazolidinone,5-[(5-bromo-1H-indol-3-yl)methylene]-3-(2-propen-1-yl)-2-thioxo-

Iupac Name:7-chloro-8-methylquinoline-2-carboximidamide;hydrochloride
CAS No.:1179360-89-4
Molecular Weight:256.13
Molecular Formula:C9H9IN6O2 (isomer)
Names and Identifiers
Synonyms

NSC 80720 Rhodanine,3-allyl-5-[(5-bromoindol-3-yl)methylene]- (7CI)

Inchi
InChI=1S/C11H10ClN3.ClH/c1-6-8(12)4-2-7-3-5-9(11(13)14)15-10(6)7;/h2-5H,1H3,(H3,13,14);1H
InChkey
NVWJYKYUQHQPNW-UHFFFAOYSA-N
Canonical Smiles
CC1=C(C=CC2=C1N=C(C=C2)C(=N)N)Cl.Cl
Properties
Density
1.26
Boiling Point
478.5 °C at 760 mmHg
Flash Point
118.2°C
Computational chemical data
  • Molecular Weight:256.13g/mol
  • Molecular Formula:C9H9IN6O2
  • Compound Is Canonicalized:True
  • Exact Mass:255.033
  • Monoisotopic Mass:255.033
  • Complexity:256
  • Rotatable Bond Count:1
  • Hydrogen Bond Donor Count:3
  • Hydrogen Bond Acceptor Count:2
  • Topological Polar Surface Area:62.8A^2
  • Heavy Atom Count:16
  • 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: AAADccBzAAAGAAAAAAAAAAAAAAAAAAAAAAA8QAAAAAAAAACx8AAAHAIQAAAADAqBHiAzwPJIEACg AyZiZACCgCChByAImCAwZpgIYOLBk5GUIAhggADIyAcQgMAOBAACAAIDAAAIAAQABAYAAAAAAAAA AA==
Recommended Suppliers
  • Tel:86-755-33239182
  • Fax:86-755-33233381
Recommended Suppliers
  • Tel:86-755-33239182
  • Fax:86-755-33233381
 
<