200,000+ products from a single source!
sales@angenechem.com
Home > Nitro Compounds > 1001756-32-6
1001756-32-6 | 5-[2-(3,5-DIMETHYL-4-NITRO-PYRAZOL-1-YL)-ETHYL]-4-ETHYL-4H-[1,2,4]TRIAZOL+
CAS No: 1001756-32-6 Catalog No: AG01ANPP MDL No:MFCD03423545
Product Description
Catalog Number:
AG01ANPP
Chemical Name:
5-[2-(3,5-DIMETHYL-4-NITRO-PYRAZOL-1-YL)-ETHYL]-4-ETHYL-4H-[1,2,4]TRIAZOL+
CAS Number:
1001756-32-6
Molecular Formula:
C11H16N6O2S
Molecular Weight:
296.3487
MDL Number:
MFCD03423545
IUPAC Name:
3-[2-(3,5-dimethyl-4-nitropyrazol-1-yl)ethyl]-4-ethyl-1H-1,2,4-triazole-5-thione
InChI:
InChI=1S/C11H16N6O2S/c1-4-15-9(12-13-11(15)20)5-6-16-8(3)10(17(18)19)7(2)14-16/h4-6H2,1-3H3,(H,13,20)
InChI Key:
UXYOJOIAWHHPQO-UHFFFAOYSA-N
SMILES:
CCn1c(nnc1S)CCn1nc(c(c1C)[N+](=O)[O-])C
Properties
Complexity:
437
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
296.106g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
296.349g/mol
Monoisotopic Mass:
296.106g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
123A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.