Home Carboxys 2-tert-butyl-4-methyl-6-sulfanylidene-1,6-dihydropyrimidine-5-carboxylic acid

2-tert-butyl-4-methyl-6-sulfanylidene-1,6-dihydropyrimidine-5-carboxylic acid

CAS No.:
941117-68-6
Catalog Number:
AG01E3KQ
Molecular Formula:
Molecular Weight:
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Product Description
Catalog Number:
AG01E3KQ
Chemical Name:
2-tert-butyl-4-methyl-6-sulfanylidene-1,6-dihydropyrimidine-5-carboxylic acid
CAS Number:
941117-68-6
MDL Number:
MFCD26143747
IUPAC Name:
2-tert-butyl-6-methyl-4-sulfanylidene-1H-pyrimidine-5-carboxylic acid
InChI:
InChI=1S/C10H14N2O2S/c1-5-6(8(13)14)7(15)12-9(11-5)10(2,3)4/h1-4H3,(H,13,14)(H,11,12,15)
InChI Key:
YZKGQBXEDVCEAX-UHFFFAOYSA-N
Properties
Complexity:
389  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.078g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
226.294g/mol
Monoisotopic Mass:
226.078g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
93.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4  
Properties