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120079-90-5 | Thieno[3,2-d]pyrimidin-4(1H)-one, 2,3-dihydro-3-(2-methyl-2-propen-1-yl)-2-thioxo-
CAS No: 120079-90-5 Catalog No: AG000Q9M MDL No:
Product Description
Catalog Number:
AG000Q9M
Chemical Name:
Thieno[3,2-d]pyrimidin-4(1H)-one, 2,3-dihydro-3-(2-methyl-2-propen-1-yl)-2-thioxo-
CAS Number:
120079-90-5
Molecular Formula:
C10H10N2OS2
Molecular Weight:
238.3292
IUPAC Name:
3-(2-methylprop-2-enyl)-2-sulfanylidene-1H-thieno[3,2-d]pyrimidin-4-one
InChI:
InChI=1S/C10H10N2OS2/c1-6(2)5-12-9(13)8-7(3-4-15-8)11-10(12)14/h3-4H,1,5H2,2H3,(H,11,14)
InChI Key:
ZECFXJZPYUXXDN-UHFFFAOYSA-N
SMILES:
CC(=C)Cn1c(=S)[nH]c2c(c1=O)scc2
Properties
Complexity:
329
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
238.023g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
238.323g/mol
Monoisotopic Mass:
238.023g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
92.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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