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88946-41-2 | 2,4(1H,3H)-Pyrimidinedione, 1-(2-mercaptoethyl)-5-methyl-
CAS No: 88946-41-2 Catalog No: AG0047J8 MDL No:
Product Description
Catalog Number:
AG0047J8
Chemical Name:
2,4(1H,3H)-Pyrimidinedione, 1-(2-mercaptoethyl)-5-methyl-
CAS Number:
88946-41-2
Molecular Formula:
C7H10N2O2S
Molecular Weight:
186.2315
IUPAC Name:
5-methyl-1-(2-sulfanylethyl)pyrimidine-2,4-dione
InChI:
InChI=1S/C7H10N2O2S/c1-5-4-9(2-3-12)7(11)8-6(5)10/h4,12H,2-3H2,1H3,(H,8,10,11)
InChI Key:
SHCVCSKYZLKOSZ-UHFFFAOYSA-N
SMILES:
Cc1cn(CCS)c(=O)[nH]c1=O
Properties
Complexity:
250
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
186.046g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
186.229g/mol
Monoisotopic Mass:
186.046g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
50.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2
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