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Home > Other Heterocycles > 137118-16-2
137118-16-2 | 7-Thia-2,5-diazabicyclo[2.2.1]heptane-3,6-dione, 1-(hydroxymethyl)-2-methyl-
CAS No: 137118-16-2 Catalog No: AG0012UY MDL No:
Product Description
Catalog Number:
AG0012UY
Chemical Name:
7-Thia-2,5-diazabicyclo[2.2.1]heptane-3,6-dione, 1-(hydroxymethyl)-2-methyl-
CAS Number:
137118-16-2
Molecular Formula:
C6H8N2O3S
Molecular Weight:
188.2043
IUPAC Name:
1-(hydroxymethyl)-2-methyl-7-thia-2,5-diazabicyclo[2.2.1]heptane-3,6-dione
InChI:
InChI=1S/C6H8N2O3S/c1-8-4(10)3-7-5(11)6(8,2-9)12-3/h3,9H,2H2,1H3,(H,7,11)
InChI Key:
ARHVLZQDVSOSFF-UHFFFAOYSA-N
SMILES:
OCC12SC(NC1=O)C(=O)N2C
Properties
Complexity:
270
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.026g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
188.201g/mol
Monoisotopic Mass:
188.026g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
94.9A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.7
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