200,000+ products from a single source!
sales@angenechem.com
Home > Nitro Compounds > 80773-00-8
80773-00-8 | [1,2,4]Triazolo[1,5-a]pyrimidine, 2-(methylthio)-6-nitro-
CAS No: 80773-00-8 Catalog No: AG005J92 MDL No:
Product Description
Catalog Number:
AG005J92
Chemical Name:
[1,2,4]Triazolo[1,5-a]pyrimidine, 2-(methylthio)-6-nitro-
CAS Number:
80773-00-8
Molecular Formula:
C6H5N5O2S
Molecular Weight:
211.2012
IUPAC Name:
2-methylsulfanyl-6-nitro-[1,2,4]triazolo[1,5-a]pyrimidine
InChI:
InChI=1S/C6H5N5O2S/c1-14-6-8-5-7-2-4(11(12)13)3-10(5)9-6/h2-3H,1H3
InChI Key:
HCORZOYSZBWENS-UHFFFAOYSA-N
SMILES:
CSc1nn2c(n1)ncc(c2)[N+](=O)[O-]
Properties
Complexity:
235
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
211.016g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
211.199g/mol
Monoisotopic Mass:
211.016g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
114A^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.