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1566-30-9 | 1,2,4-Triazin-5(2H)-one, 3,4-dihydro-2,4,6-trimethyl-3-thioxo-
CAS No: 1566-30-9 Catalog No: AG001OU7 MDL No:
Product Description
Catalog Number:
AG001OU7
Chemical Name:
1,2,4-Triazin-5(2H)-one, 3,4-dihydro-2,4,6-trimethyl-3-thioxo-
CAS Number:
1566-30-9
Molecular Formula:
C6H9N3OS
Molecular Weight:
171.2202
IUPAC Name:
2,4,6-trimethyl-3-sulfanylidene-1,2,4-triazin-5-one
InChI:
InChI=1S/C6H9N3OS/c1-4-5(10)8(2)6(11)9(3)7-4/h1-3H3
InChI Key:
GVELGZSFVZANIL-UHFFFAOYSA-N
SMILES:
Cc1nn(C)c(=S)n(c1=O)C
NSC Number:
56902
Properties
Complexity:
248
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:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
171.218g/mol
Monoisotopic Mass:
171.047g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
68A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0
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