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126637-05-6 | Thieno[2,3-d]pyrimidin-4(1H)-one, 2,3-dihydro-5-methyl-3-(2-propen-1-yl)-2-thioxo-
CAS No: 126637-05-6 Catalog No: AG000T0X MDL No:
Product Description
Catalog Number:
AG000T0X
Chemical Name:
Thieno[2,3-d]pyrimidin-4(1H)-one, 2,3-dihydro-5-methyl-3-(2-propen-1-yl)-2-thioxo-
CAS Number:
126637-05-6
Molecular Formula:
C10H10N2OS2
Molecular Weight:
238.3292
IUPAC Name:
5-methyl-3-prop-2-enyl-2-sulfanylidene-1H-thieno[2,3-d]pyrimidin-4-one
InChI:
InChI=1S/C10H10N2OS2/c1-3-4-12-9(13)7-6(2)5-15-8(7)11-10(12)14/h3,5H,1,4H2,2H3,(H,11,14)
InChI Key:
GCDDGDOMKFSJTQ-UHFFFAOYSA-N
SMILES:
C=CCn1c(=S)[nH]c2c(c1=O)c(C)cs2
Properties
Complexity:
319
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:
2.2
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