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1600-65-3

1600-65-3 | 2-Imidazolidinethione, 1,3-bis(1-piperidinylmethyl)-

CAS No: 1600-65-3 Catalog No: AG001RL4 MDL No:

Product Description

Catalog Number:
AG001RL4
Chemical Name:
2-Imidazolidinethione, 1,3-bis(1-piperidinylmethyl)-
CAS Number:
1600-65-3
Molecular Formula:
C15H28N4S
Molecular Weight:
296.4746
IUPAC Name:
1,3-bis(piperidin-1-ylmethyl)imidazolidine-2-thione
InChI:
InChI=1S/C15H28N4S/c20-15-18(13-16-7-3-1-4-8-16)11-12-19(15)14-17-9-5-2-6-10-17/h1-14H2
InChI Key:
CCMPHOBVVMUPII-UHFFFAOYSA-N
SMILES:
S=C1N(CCN1CN1CCCCC1)CN1CCCCC1
NSC Number:
116127

Properties

Complexity:
294  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
296.203g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
296.477g/mol
Monoisotopic Mass:
296.203g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
45A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  

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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