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1235439-56-1 | 1-{imidazo[1,2-a]pyrimidin-6-ylsulfanyl}-N,N-dimethylformamide
CAS No: 1235439-56-1 Catalog No: AG01A8JY MDL No:MFCD16040087
Product Description
Catalog Number:
AG01A8JY
Chemical Name:
1-{imidazo[1,2-a]pyrimidin-6-ylsulfanyl}-N,N-dimethylformamide
CAS Number:
1235439-56-1
Molecular Formula:
C9H10N4OS
Molecular Weight:
222.2669
MDL Number:
MFCD16040087
IUPAC Name:
S-imidazo[1,2-a]pyrimidin-6-yl N,N-dimethylcarbamothioate
InChI:
InChI=1S/C9H10N4OS/c1-12(2)9(14)15-7-5-11-8-10-3-4-13(8)6-7/h3-6H,1-2H3
InChI Key:
AHHWVTAVWDCZQF-UHFFFAOYSA-N
SMILES:
O=C(N(C)C)Sc1cnc2n(c1)ccn2
Properties
Complexity:
248
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.058g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
222.266g/mol
Monoisotopic Mass:
222.058g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
75.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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