200,000+ products from a single source!
sales@angenechem.com
Home > Other Heterocycles > 68214-08-4
68214-08-4 | 11-isopropyl-2,4-diazaspiro[5.5]undec-8-ene-1,3,5-trione
CAS No: 68214-08-4 Catalog No: AG005LPC MDL No:
Product Description
Catalog Number:
AG005LPC
Chemical Name:
11-isopropyl-2,4-diazaspiro[5.5]undec-8-ene-1,3,5-trione
CAS Number:
68214-08-4
Molecular Formula:
C12H16N2O3
Molecular Weight:
236.2670
IUPAC Name:
(7-methyl-5-oxo-4H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl carbamimidothioate;hydrochloride
InChI:
InChI=1S/C8H10N6OS.ClH/c1-4-2-6(15)12-8-11-5(13-14(4)8)3-16-7(9)10;/h2H,3H2,1H3,(H3,9,10)(H,11,12,13,15);1H
InChI Key:
FJNAXFKKCOJAQZ-UHFFFAOYSA-N
SMILES:
CC(C1CC=CCC21C(=O)NC(=O)NC2=O)C
EC Number:
269-288-5
Properties
Complexity:
356
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
274.04g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
274.727g/mol
Monoisotopic Mass:
274.04g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
135A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Related Products
© 2019 Angene International Limited. All rights Reserved.