200,000+ products from a single source!
sales@angenechem.com
89569-95-9 | 1,2,4-Triazin-5(4H)-one, 4-amino-6-(2,2-dimethylpropyl)-3-(methylthio)-
CAS No: 89569-95-9 Catalog No: AG003Z9T MDL No:
Product Description
Catalog Number:
AG003Z9T
Chemical Name:
1,2,4-Triazin-5(4H)-one, 4-amino-6-(2,2-dimethylpropyl)-3-(methylthio)-
CAS Number:
89569-95-9
Molecular Formula:
C9H16N4OS
Molecular Weight:
228.3145
IUPAC Name:
4-amino-6-(2,2-dimethylpropyl)-3-methylsulfanyl-1,2,4-triazin-5-one
InChI:
InChI=1S/C9H16N4OS/c1-9(2,3)5-6-7(14)13(10)8(15-4)12-11-6/h5,10H2,1-4H3
InChI Key:
YYHWKFBJBDMXPC-UHFFFAOYSA-N
SMILES:
CSc1nnc(c(=O)n1N)CC(C)(C)C
Properties
Complexity:
330
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.104g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
228.314g/mol
Monoisotopic Mass:
228.104g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
96.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.