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22943-32-4 | 1,2,4-Triazin-5(4H)-one, 4,6-dimethyl-3-(methylthio)-
CAS No: 22943-32-4 Catalog No: AG002LLX MDL No:
Product Description
Catalog Number:
AG002LLX
Chemical Name:
1,2,4-Triazin-5(4H)-one, 4,6-dimethyl-3-(methylthio)-
CAS Number:
22943-32-4
Molecular Formula:
C6H9N3OS
Molecular Weight:
171.2202
IUPAC Name:
4,6-dimethyl-3-methylsulfanyl-1,2,4-triazin-5-one
InChI:
InChI=1S/C6H9N3OS/c1-4-5(10)9(2)6(11-3)8-7-4/h1-3H3
InChI Key:
RIVMBPHTDOBLPN-UHFFFAOYSA-N
SMILES:
CSc1nnc(c(=O)n1C)C
Properties
Complexity:
246
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
171.047g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
171.218g/mol
Monoisotopic Mass:
171.047g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
70.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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