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133125-84-5 | 1,3,5-Triazine-2,4,6(1H,3H,5H)-trione, 1,3,5-trimercapto-
CAS No: 133125-84-5 Catalog No: AG0014B9 MDL No:
Product Description
Catalog Number:
AG0014B9
Chemical Name:
1,3,5-Triazine-2,4,6(1H,3H,5H)-trione, 1,3,5-trimercapto-
CAS Number:
133125-84-5
Molecular Formula:
C3H3N3O3S3
Molecular Weight:
225.2692
IUPAC Name:
1,3,5-tris(sulfanyl)-1,3,5-triazinane-2,4,6-trione
InChI:
InChI=1S/C3H3N3O3S3/c7-1-4(10)2(8)6(12)3(9)5(1)11/h10-12H
InChI Key:
VZVWLXDUZZCNNC-UHFFFAOYSA-N
SMILES:
O=c1n(S)c(=O)n(c(=O)n1S)S
Properties
Complexity:
202
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.934g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
225.255g/mol
Monoisotopic Mass:
224.934g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
63.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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