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117299-61-3 | Thieno[3,2-d]pyrimidin-4(3H)-one, 2-ethyl-
CAS No: 117299-61-3 Catalog No: AG000E2X MDL No:
Product Description
Catalog Number:
AG000E2X
Chemical Name:
Thieno[3,2-d]pyrimidin-4(3H)-one, 2-ethyl-
CAS Number:
117299-61-3
Molecular Formula:
C8H8N2OS
Molecular Weight:
180.2269
IUPAC Name:
2-ethyl-3H-thieno[3,2-d]pyrimidin-4-one
InChI:
InChI=1S/C8H8N2OS/c1-2-6-9-5-3-4-12-7(5)8(11)10-6/h3-4H,2H2,1H3,(H,9,10,11)
InChI Key:
LXTRLUFALASHTF-UHFFFAOYSA-N
SMILES:
CCc1nc2ccsc2c(=O)[nH]1
Properties
Complexity:
239
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.036g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
180.225g/mol
Monoisotopic Mass:
180.036g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
69.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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