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51270-93-0 | 1-(2-Mercaptoethyl)-1,3,5-triazinane-2,4,6-trione
CAS No: 51270-93-0 Catalog No: AG01FOIH MDL No:
Product Description
Catalog Number:
AG01FOIH
Chemical Name:
1-(2-Mercaptoethyl)-1,3,5-triazinane-2,4,6-trione
CAS Number:
51270-93-0
IUPAC Name:
1-(2-sulfanylethyl)-1,3,5-triazinane-2,4,6-trione
InChI:
InChI=1S/C5H7N3O3S/c9-3-6-4(10)8(1-2-12)5(11)7-3/h12H,1-2H2,(H2,6,7,9,10,11)
InChI Key:
LSUQRWQGUVIUMU-UHFFFAOYSA-N
Properties
Complexity:
222
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
189.021g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
189.189g/mol
Monoisotopic Mass:
189.021g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
79.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.7
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