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307512-22-7 | [1]Benzothieno[2,3-d]pyrimidin-4(1H)-one, 2,3,5,6,7,8-hexahydro-7-methyl-3-(2-propen-1-yl)-2-thioxo-
CAS No: 307512-22-7 Catalog No: AG00315U MDL No:MFCD01552441
Product Description
Catalog Number:
AG00315U
Chemical Name:
[1]Benzothieno[2,3-d]pyrimidin-4(1H)-one, 2,3,5,6,7,8-hexahydro-7-methyl-3-(2-propen-1-yl)-2-thioxo-
CAS Number:
307512-22-7
Molecular Formula:
C14H16N2OS2
Molecular Weight:
292.4196
MDL Number:
MFCD01552441
IUPAC Name:
7-methyl-3-prop-2-enyl-2-sulfanylidene-5,6,7,8-tetrahydro-1H-[1]benzothiolo[2,3-d]pyrimidin-4-one
InChI:
InChI=1S/C14H16N2OS2/c1-3-6-16-13(17)11-9-5-4-8(2)7-10(9)19-12(11)15-14(16)18/h3,8H,1,4-7H2,2H3,(H,15,18)
InChI Key:
BQGPJUIDDGGYJB-UHFFFAOYSA-N
SMILES:
C=CCn1c(=S)[nH]c2c(c1=O)c1CCC(Cc1s2)C
Properties
Complexity:
426
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
292.07g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
292.415g/mol
Monoisotopic Mass:
292.07g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
92.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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