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72565-78-7 | 2(1H)-Pyrimidinethione,6-ethoxy-
CAS No: 72565-78-7 Catalog No: AG005G2V MDL No:MFCD18833709
Product Description
Catalog Number:
AG005G2V
Chemical Name:
2(1H)-Pyrimidinethione,6-ethoxy-
CAS Number:
72565-78-7
Molecular Formula:
C6H8N2OS
Molecular Weight:
156.2055
MDL Number:
MFCD18833709
IUPAC Name:
6-ethoxy-1H-pyrimidine-2-thione
InChI:
InChI=1S/C6H8N2OS/c1-2-9-5-3-4-7-6(10)8-5/h3-4H,2H2,1H3,(H,7,8,10)
InChI Key:
KWPKJNZBFZSKCS-UHFFFAOYSA-N
SMILES:
CCOc1cc[nH]c(=S)n1
Properties
Complexity:
198
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
156.036g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
156.203g/mol
Monoisotopic Mass:
156.036g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
65.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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