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7338-74-1 | 1,2,4-Triazin-5(2H)-one, 3-(methylthio)-6-(phenylmethyl)-
CAS No: 7338-74-1 Catalog No: AG005EEK MDL No:
Product Description
Catalog Number:
AG005EEK
Chemical Name:
1,2,4-Triazin-5(2H)-one, 3-(methylthio)-6-(phenylmethyl)-
CAS Number:
7338-74-1
Molecular Formula:
C11H11N3OS
Molecular Weight:
233.2895
IUPAC Name:
6-benzyl-3-methylsulfanyl-4H-1,2,4-triazin-5-one
InChI:
InChI=1S/C11H11N3OS/c1-16-11-12-10(15)9(13-14-11)7-8-5-3-2-4-6-8/h2-6H,7H2,1H3,(H,12,14,15)
InChI Key:
UZKXPIHJBZEOAR-UHFFFAOYSA-N
SMILES:
CSc1[nH]nc(c(=O)n1)Cc1ccccc1
Properties
Complexity:
332
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
233.062g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
233.289g/mol
Monoisotopic Mass:
233.062g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
79.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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