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Home > Sulfanilamide > 2060042-76-2
2060042-76-2 | 1-methyl-2,4-dioxo-N-(propan-2-yl)-1,2,3,4-tetrahydropyrimidine-5-sulfonamide
CAS No: 2060042-76-2 Catalog No: AG01BWDN MDL No:MFCD30477010
Product Description
Catalog Number:
AG01BWDN
Chemical Name:
1-methyl-2,4-dioxo-N-(propan-2-yl)-1,2,3,4-tetrahydropyrimidine-5-sulfonamide
CAS Number:
2060042-76-2
Molecular Formula:
C8H13N3O4S
Molecular Weight:
247.2715
MDL Number:
MFCD30477010
IUPAC Name:
1-methyl-2,4-dioxo-N-propan-2-ylpyrimidine-5-sulfonamide
InChI:
InChI=1S/C8H13N3O4S/c1-5(2)10-16(14,15)6-4-11(3)8(13)9-7(6)12/h4-5,10H,1-3H3,(H,9,12,13)
InChI Key:
VJWHAUCFOWFTFZ-UHFFFAOYSA-N
SMILES:
CC(NS(=O)(=O)c1cn(C)c(=O)[nH]c1=O)C
Properties
Complexity:
446
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
247.063g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
247.269g/mol
Monoisotopic Mass:
247.063g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3
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