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6958-50-5 | 1,3,5-Triazine-2-aceticacid, a-acetyl-1,4,5,6-tetrahydro-a-methyl-4,6-dithioxo-, ethylester
CAS No: 6958-50-5 Catalog No: AG005K44 MDL No:
Product Description
Catalog Number:
AG005K44
Chemical Name:
1,3,5-Triazine-2-aceticacid, a-acetyl-1,4,5,6-tetrahydro-a-methyl-4,6-dithioxo-, ethylester
CAS Number:
6958-50-5
Molecular Formula:
C10H13N3O3S2
Molecular Weight:
287.3585
IUPAC Name:
ethyl 2-[4,6-bis(sulfanylidene)-1H-1,3,5-triazin-2-yl]-2-methyl-3-oxobutanoate
InChI:
InChI=1S/C10H13N3O3S2/c1-4-16-7(15)10(3,5(2)14)6-11-8(17)13-9(18)12-6/h4H2,1-3H3,(H2,11,12,13,17,18)
InChI Key:
XLZNKCCEYSTCAX-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(c1nc(S)nc(n1)S)(C(=O)C)C
NSC Number:
64787
Properties
Complexity:
461
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
287.04g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
287.352g/mol
Monoisotopic Mass:
287.04g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
144A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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