Products
  • Products
  • Buy offers
  • Encyclopedia
  • Msds lib
  • Synthesis
  • Reach Info
  • Suppliers
Home> Encyclopedia > Hot Product Listed 6   > 6-Cyclohexyl-3-(2-furanyl)-1,2,4-triazolo[3,4-b][1,3,4]thiadiazole
577696-37-8 structure

6-Cyclohexyl-3-(2-furanyl)-1,2,4-triazolo[3,4-b][1,3,4]thiadiazole

Iupac Name:6-cyclohexyl-3-(furan-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CAS No.:577696-37-8
Molecular Weight:274.342
Molecular Formula:C13H14N4OS (isomer)
Names and Identifiers
Synonyms

6-cyclohexyl-3-(2-furanyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole 6-cyclohexyl-3-(2-furyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole 6-cyclohexyl-3-(furan-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole 6-cyclohexyl-3-furan-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole AC1LD8UV AK308070 AKOS022096110 B5614 bdbm54950 cardionogen 1 Cardionogen-1/vuc230 CDNG1 CHEMBL1382901 cid_663145 HMS2424M03 KB-270157 MLS000081190 MOLPORT-002-604-331 NCGC00019295-01 NCGC00019295-02 SCHEMBL19554367 smr000043813 STOCK4S-23040 VU0247892-3 ZINC531836

Inchi
InChI=1S/C13H14N4OS/c1-2-5-9(6-3-1)12-16-17-11(10-7-4-8-18-10)14-15-13(17)19-12/h4,7-9H,1-3,5-6H2
InChkey
SWTUPSNBTSPBIH-UHFFFAOYSA-N
Canonical Smiles
C1CCC(CC1)C2=NN3C(=NN=C3S2)C4=CC=CO4
Safety and Handling
Hazard Codes
Xn
Risk Statements
22
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Acute toxicity - Oral, Category 4

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Warning

Hazard statement(s)

H302 Harmful if swallowed

Precautionary statement(s)
Prevention

P264 Wash ... thoroughly after handling.

P270 Do not eat, drink or smoke when using this product.

Response

P301+P312 IF SWALLOWED: Call a POISON CENTER/doctor/…if you feel unwell.

P330 Rinse mouth.

Storage

none

Disposal

P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

Computational chemical data
  • Molecular Weight:274.342g/mol
  • Molecular Formula:C13H14N4OS
  • Compound Is Canonicalized:True
  • Exact Mass:274.089
  • Monoisotopic Mass:274.089
  • Complexity:326
  • Rotatable Bond Count:2
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:5
  • Topological Polar Surface Area:84.5A^2
  • Heavy Atom Count:19
  • 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
  • CACTVS Substructure Key Fingerprint: AAADccBzoABAAAAAAAAAAAAAAAAAAWLEgAAwAAAAAAAWAAAB+AAAHgQIAAAADQSh0wIxFIYIFEiu AKpypASS2ItmILgdiCG2DNiOLrKkvTuHGSjkyBMYqYeYkQIOAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
Recommended Suppliers
 
<