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832686-77-8 | 1,2,4-Triazine, 2,5-dihydro-3-(methylthio)-5-(phenylmethyl)-
CAS No: 832686-77-8 Catalog No: AG004U8T MDL No:
Product Description
Catalog Number:
AG004U8T
Chemical Name:
1,2,4-Triazine, 2,5-dihydro-3-(methylthio)-5-(phenylmethyl)-
CAS Number:
832686-77-8
Molecular Formula:
C11H13N3S
Molecular Weight:
219.3060
IUPAC Name:
5-benzyl-3-methylsulfanyl-2,5-dihydro-1,2,4-triazine
InChI:
InChI=1S/C11H13N3S/c1-15-11-13-10(8-12-14-11)7-9-5-3-2-4-6-9/h2-6,8,10H,7H2,1H3,(H,13,14)
InChI Key:
ZDGVMLUSZWRQIS-UHFFFAOYSA-N
SMILES:
CSC1=NC(C=NN1)Cc1ccccc1
Properties
Complexity:
257
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.083g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
219.306g/mol
Monoisotopic Mass:
219.083g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
62A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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