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1566-31-0 | 1,2,4-Triazine-3,5(2H,4H)-dithione, 2,4,6-trimethyl-
CAS No: 1566-31-0 Catalog No: AG001OU6 MDL No:
Product Description
Catalog Number:
AG001OU6
Chemical Name:
1,2,4-Triazine-3,5(2H,4H)-dithione, 2,4,6-trimethyl-
CAS Number:
1566-31-0
Molecular Formula:
C6H9N3S2
Molecular Weight:
187.2858
IUPAC Name:
2,4,6-trimethyl-1,2,4-triazine-3,5-dithione
InChI:
InChI=1S/C6H9N3S2/c1-4-5(10)8(2)6(11)9(3)7-4/h1-3H3
InChI Key:
UMTVGUIBTPNSOV-UHFFFAOYSA-N
SMILES:
S=c1c(C)nn(c(=S)n1C)C
NSC Number:
57051
Properties
Complexity:
246
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
187.024g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
187.279g/mol
Monoisotopic Mass:
187.024g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
83A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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