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130288-91-4 | Piperazine, 1-(3-thienylmethyl)-
CAS No: 130288-91-4 Catalog No: AG000U7V MDL No:MFCD05189254
Product Description
Catalog Number:
AG000U7V
Chemical Name:
Piperazine, 1-(3-thienylmethyl)-
CAS Number:
130288-91-4
Molecular Formula:
C9H14N2S
Molecular Weight:
182.2859
MDL Number:
MFCD05189254
IUPAC Name:
1-(thiophen-3-ylmethyl)piperazine
InChI:
InChI=1S/C9H14N2S/c1-6-12-8-9(1)7-11-4-2-10-3-5-11/h1,6,8,10H,2-5,7H2
InChI Key:
DCEFDTKYYGMWMX-UHFFFAOYSA-N
SMILES:
N1CCN(CC1)Cc1cscc1
Properties
Complexity:
135
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
182.088g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
182.285g/mol
Monoisotopic Mass:
182.088g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
43.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
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