Home Carboxys methyl 6-methyl-2-oxo-4-sulfanyl-1,2-dihydropyrimidine-5-carboxylate

methyl 6-methyl-2-oxo-4-sulfanyl-1,2-dihydropyrimidine-5-carboxylate

CAS No.:
863669-54-9
Catalog Number:
AG01EISW
Molecular Formula:
C7H8N2O3S
Molecular Weight:
200.2150
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Product Description
Catalog Number:
AG01EISW
Chemical Name:
methyl 6-methyl-2-oxo-4-sulfanyl-1,2-dihydropyrimidine-5-carboxylate
CAS Number:
863669-54-9
Molecular Formula:
C7H8N2O3S
Molecular Weight:
200.2150
MDL Number:
MFCD26143635
IUPAC Name:
methyl 4-methyl-2-oxo-6-sulfanylidene-5H-pyrimidine-5-carboxylate
InChI:
InChI=1S/C7H8N2O3S/c1-3-4(6(10)12-2)5(13)9-7(11)8-3/h4H,1-2H3,(H,9,11,13)
InChI Key:
RECIUGQPQJGTCS-UHFFFAOYSA-N
SMILES:
COC(=O)c1c(S)nc(=O)[nH]c1C
Properties
Complexity:
311  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
200.026g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
200.212g/mol
Monoisotopic Mass:
200.026g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
99.8A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1  
Properties