200,000+ products from a single source!
sales@angenechem.com
88798-31-6 | 4(1H)-Pyrimidinethione, 6-(diethylamino)-2-methyl-5-nitro-
CAS No: 88798-31-6 Catalog No: AG004CT3 MDL No:
Product Description
Catalog Number:
AG004CT3
Chemical Name:
4(1H)-Pyrimidinethione, 6-(diethylamino)-2-methyl-5-nitro-
CAS Number:
88798-31-6
Molecular Formula:
C9H14N4O2S
Molecular Weight:
242.2981
IUPAC Name:
6-(diethylamino)-2-methyl-5-nitro-1H-pyrimidine-4-thione
InChI:
InChI=1S/C9H14N4O2S/c1-4-12(5-2)8-7(13(14)15)9(16)11-6(3)10-8/h4-5H2,1-3H3,(H,10,11,16)
InChI Key:
QHQKMWVMJBCEBM-UHFFFAOYSA-N
SMILES:
CCN(c1[nH]c(C)nc(=S)c1[N+](=O)[O-])CC
Properties
Complexity:
380
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
242.084g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
242.297g/mol
Monoisotopic Mass:
242.084g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
106A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.