Products
  • Products
  • Buy offers
  • Encyclopedia
  • Msds lib
  • Synthesis
  • Reach Info
  • Suppliers
Home> Encyclopedia > Hot Product Listed 5   > 5H-Benzo[4,5]cyclohepta[1,2-b]pyridin-5-ol,5-ethynyl-10,11-dihydro-
244156-96-5 structure

5H-Benzo[4,5]cyclohepta[1,2-b]pyridin-5-ol,5-ethynyl-10,11-dihydro-

Iupac Name:4-(5-amino-1,3,4-thiadiazol-2-yl)-1,2,5-oxadiazol-3-amine
CAS No.:244156-96-5
Molecular Weight:184.177
Molecular Formula:C12H8O2S2 (isomer)
Names and Identifiers
Synonyms

1-aza-5h-dibenzo(a,d)cyclohepten-5-ol, 10,11-dihydro-5-ethynyl- 2-ethynyl-7-azatricyclo[9.4.0.0(3),?]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ol 5-ethynyl-10,11-dihydro-5h-benzo[4,5]cyclohepta[1,2-b]pyridin-5-ol 5h-benzo(4,5)cyclohepta(1,2-b)pyridin-5-ol, 10,11-dihydro-5-ethynyl- AC1L1UMG brn 1469717 CTK8I1654 LS-33784

Inchi
InChI=1S/C4H4N6OS/c5-2-1(9-11-10-2)3-7-8-4(6)12-3/h(H2,5,10)(H2,6,8)
InChkey
ABUHBCWBIXHDKB-UHFFFAOYSA-N
Canonical Smiles
C1(=NON=C1N)C2=NN=C(S2)N
Properties
Boiling Point
390.5 °C at 760 mmHg
Flash Point
137.8ºC
Computational chemical data
  • Molecular Weight:184.177g/mol
  • Molecular Formula:C12H8O2S2
  • Compound Is Canonicalized:True
  • Exact Mass:184.017
  • Monoisotopic Mass:184.017
  • Complexity:170
  • Rotatable Bond Count:1
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:8
  • Heavy Atom Count:12
  • 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:1
 
<