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89570-02-5 | 1,2,4-Triazin-5(4H)-one, 6-cycloheptyl-4-methyl-3-(methylthio)-
CAS No: 89570-02-5 Catalog No: AG003Z9R MDL No:
Product Description
Catalog Number:
AG003Z9R
Chemical Name:
1,2,4-Triazin-5(4H)-one, 6-cycloheptyl-4-methyl-3-(methylthio)-
CAS Number:
89570-02-5
Molecular Formula:
C12H19N3OS
Molecular Weight:
253.3638
IUPAC Name:
6-cycloheptyl-4-methyl-3-methylsulfanyl-1,2,4-triazin-5-one
InChI:
InChI=1S/C12H19N3OS/c1-15-11(16)10(13-14-12(15)17-2)9-7-5-3-4-6-8-9/h9H,3-8H2,1-2H3
InChI Key:
BCLORSDHTQYIFU-UHFFFAOYSA-N
SMILES:
CSc1nnc(c(=O)n1C)C1CCCCCC1
Properties
Complexity:
357
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.125g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
253.364g/mol
Monoisotopic Mass:
253.125g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
70.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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