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96939-06-9 | 3-(1,3-THIAZOL-2-YL)PIPERAZIN-2-ONE
CAS No: 96939-06-9 Catalog No: AG0065PF MDL No:
Product Description
Catalog Number:
AG0065PF
Chemical Name:
3-(1,3-THIAZOL-2-YL)PIPERAZIN-2-ONE
CAS Number:
96939-06-9
Molecular Formula:
C7H9N3OS
Molecular Weight:
183.2309
IUPAC Name:
3-(1,3-thiazol-2-yl)piperazin-2-one
InChI:
InChI=1S/C7H9N3OS/c11-6-5(8-1-2-9-6)7-10-3-4-12-7/h3-5,8H,1-2H2,(H,9,11)
InChI Key:
BLQIAUSGVQLQAV-UHFFFAOYSA-N
SMILES:
O=C1NCCNC1c1nccs1
Properties
Complexity:
188
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
183.047g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
183.229g/mol
Monoisotopic Mass:
183.047g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
82.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3
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