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1016861-56-5 | 2-(3-oxopiperazin-1-yl)pyridine-3-carbothioamide
CAS No: 1016861-56-5 Catalog No: AG01A3S5 MDL No:MFCD09936950
Product Description
Catalog Number:
AG01A3S5
Chemical Name:
2-(3-oxopiperazin-1-yl)pyridine-3-carbothioamide
CAS Number:
1016861-56-5
Molecular Formula:
C10H12N4OS
Molecular Weight:
236.2935
MDL Number:
MFCD09936950
IUPAC Name:
2-(3-oxopiperazin-1-yl)pyridine-3-carbothioamide
InChI:
InChI=1S/C10H12N4OS/c11-9(16)7-2-1-3-13-10(7)14-5-4-12-8(15)6-14/h1-3H,4-6H2,(H2,11,16)(H,12,15)
InChI Key:
FTPOIHHEPBTQIX-UHFFFAOYSA-N
SMILES:
O=C1NCCN(C1)c1ncccc1C(=S)N
Properties
Complexity:
297
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.073g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
236.293g/mol
Monoisotopic Mass:
236.073g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
103A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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