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Home > Imidazoles > 1235441-73-2
1235441-73-2 | 1-({2,3-dicyanoimidazo[1,2-a]pyrimidin-6-yl}sulfanyl)-N,N-dimethylformamide
CAS No: 1235441-73-2 Catalog No: AG01A8JX MDL No:MFCD16040086
Product Description
Catalog Number:
AG01A8JX
Chemical Name:
1-({2,3-dicyanoimidazo[1,2-a]pyrimidin-6-yl}sulfanyl)-N,N-dimethylformamide
CAS Number:
1235441-73-2
Molecular Formula:
C11H8N6OS
Molecular Weight:
272.2858
MDL Number:
MFCD16040086
IUPAC Name:
S-(2,3-dicyanoimidazo[1,2-a]pyrimidin-6-yl) N,N-dimethylcarbamothioate
InChI:
InChI=1S/C11H8N6OS/c1-16(2)11(18)19-7-5-14-10-15-8(3-12)9(4-13)17(10)6-7/h5-6H,1-2H3
InChI Key:
LHMSUKNOMNFOMB-UHFFFAOYSA-N
SMILES:
CN(C(=O)Sc1cnc2n(c1)c(C#N)c(n2)C#N)C
Properties
Complexity:
462
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
272.048g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
272.286g/mol
Monoisotopic Mass:
272.048g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
123A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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