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887202-10-0 | "6-amino-1-(3,4-dimethylphenyl)-2-sulfanylidene-1,2,3,4-tetrahydropyrimidin-4-one"
CAS No: 887202-10-0 Catalog No: AG01FMR5 MDL No:MFCD06809806
Product Description
Catalog Number:
AG01FMR5
Chemical Name:
"6-amino-1-(3,4-dimethylphenyl)-2-sulfanylidene-1,2,3,4-tetrahydropyrimidin-4-one"
CAS Number:
887202-10-0
Molecular Formula:
C12H13N3OS
Molecular Weight:
247.3161
MDL Number:
MFCD06809806
IUPAC Name:
6-amino-1-(3,4-dimethylphenyl)-2-sulfanylidenepyrimidin-4-one
InChI:
InChI=1S/C12H13N3OS/c1-7-3-4-9(5-8(7)2)15-10(13)6-11(16)14-12(15)17/h3-6H,13H2,1-2H3,(H,14,16,17)
InChI Key:
GVZSLCNAWSLCMX-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1C)n1c(N)cc(=O)[nH]c1=S
Properties
Complexity:
380
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
247.078g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
247.316g/mol
Monoisotopic Mass:
247.078g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
90.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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