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116457-78-4 | 2(1H)-Pyrimidinethione, 1-[[2-(acetyloxy)ethoxy]methyl]-
CAS No: 116457-78-4 Catalog No: AG000CK0 MDL No:
Product Description
Catalog Number:
AG000CK0
Chemical Name:
2(1H)-Pyrimidinethione, 1-[[2-(acetyloxy)ethoxy]methyl]-
CAS Number:
116457-78-4
Molecular Formula:
C9H12N2O3S
Molecular Weight:
228.2682
IUPAC Name:
2-[(2-sulfanylidenepyrimidin-1-yl)methoxy]ethyl acetate
InChI:
InChI=1S/C9H12N2O3S/c1-8(12)14-6-5-13-7-11-4-2-3-10-9(11)15/h2-4H,5-7H2,1H3
InChI Key:
HFSIFTFOLHEEPJ-UHFFFAOYSA-N
SMILES:
CC(=O)OCCOCn1cccnc1=S
Properties
Complexity:
302
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.057g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
228.266g/mol
Monoisotopic Mass:
228.057g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
83.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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