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83715-57-5 | Thieno[2,3-e]-1,2,4-triazine, 6-(4-methoxyphenyl)-3-(methylthio)-
CAS No: 83715-57-5 Catalog No: AG0056B9 MDL No:
Product Description
Catalog Number:
AG0056B9
Chemical Name:
Thieno[2,3-e]-1,2,4-triazine, 6-(4-methoxyphenyl)-3-(methylthio)-
CAS Number:
83715-57-5
Molecular Formula:
C13H11N3OS2
Molecular Weight:
289.3759
IUPAC Name:
6-(4-methoxyphenyl)-3-methylsulfanylthieno[2,3-e][1,2,4]triazine
InChI:
InChI=1S/C13H11N3OS2/c1-17-9-5-3-8(4-6-9)11-7-10-12(19-11)14-13(18-2)16-15-10/h3-7H,1-2H3
InChI Key:
MZZNHZMEZBIOER-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)c1cc2c(s1)nc(nn2)SC
Properties
Complexity:
300
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
289.034g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
289.371g/mol
Monoisotopic Mass:
289.034g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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