200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 100155-47-3
100155-47-3 | Phosphorothioic acid, O,O-di(ethyl-1,1,2,2,2-d5) O-[6-methyl-2-(1-methylethyl)-4-pyrimidinyl] ester
CAS No: 100155-47-3 Catalog No: AG000149 MDL No:
Product Description
Catalog Number:
AG000149
Chemical Name:
Phosphorothioic acid, O,O-di(ethyl-1,1,2,2,2-d5) O-[6-methyl-2-(1-methylethyl)-4-pyrimidinyl] ester
CAS Number:
100155-47-3
Molecular Formula:
C12H11D10N2O3PS
Molecular Weight:
314.4071
IUPAC Name:
(6-methyl-2-propan-2-ylpyrimidin-4-yl)oxy-bis(1,1,2,2,2-pentadeuterioethoxy)-sulfanylidene-λ5-phosphane
InChI:
InChI=1S/C12H21N2O3PS/c1-6-15-18(19,16-7-2)17-11-8-10(5)13-12(14-11)9(3)4/h8-9H,6-7H2,1-5H3/i1D3,2D3,6D2,7D2
InChI Key:
FHIVAFMUCKRCQO-HXOHQZFQSA-N
SMILES:
Cc1cc(nc(n1)C(C)C)OP(=S)(OC(C([2H])([2H])[2H])([2H])[2H])OC(C([2H])([2H])[2H])([2H])[2H]
Properties
Complexity:
307
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
314.164g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
10
Molecular Weight:
314.406g/mol
Monoisotopic Mass:
314.164g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
85.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.