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163279-29-6 | Piperazinone,3,6-dimethyl-5-thioxo-, (3S-cis)- (9CI)
CAS No: 163279-29-6 Catalog No: AG001TZ9 MDL No:
Product Description
Catalog Number:
AG001TZ9
Chemical Name:
Piperazinone,3,6-dimethyl-5-thioxo-, (3S-cis)- (9CI)
CAS Number:
163279-29-6
Molecular Formula:
C6H10N2OS
Molecular Weight:
158.2214
IUPAC Name:
(3S,6S)-3,6-dimethyl-5-sulfanylidenepiperazin-2-one
InChI:
InChI=1S/C6H10N2OS/c1-3-5(9)7-4(2)6(10)8-3/h3-4H,1-2H3,(H,7,9)(H,8,10)/t3-,4-/m0/s1
InChI Key:
NOUOIFSTSXWJDF-IMJSIDKUSA-N
SMILES:
O=C1N[C@@H](C)C(=S)N[C@H]1C
Properties
Complexity:
181
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
158.051g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
158.219g/mol
Monoisotopic Mass:
158.051g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
73.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
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