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Home > Imidazoles > 1600-66-4
1600-66-4 | 2-Imidazolidinethione, 1,3-bis(4-morpholinylmethyl)-
CAS No: 1600-66-4 Catalog No: AG001RL3 MDL No:
Product Description
Catalog Number:
AG001RL3
Chemical Name:
2-Imidazolidinethione, 1,3-bis(4-morpholinylmethyl)-
CAS Number:
1600-66-4
Molecular Formula:
C13H24N4O2S
Molecular Weight:
300.4203
IUPAC Name:
1,3-bis(morpholin-4-ylmethyl)imidazolidine-2-thione
InChI:
InChI=1S/C13H24N4O2S/c20-13-16(11-14-3-7-18-8-4-14)1-2-17(13)12-15-5-9-19-10-6-15/h1-12H2
InChI Key:
ACVHCNQDPAFJCU-UHFFFAOYSA-N
SMILES:
S=C1N(CCN1CN1CCOCC1)CN1CCOCC1
NSC Number:
47863
Properties
Complexity:
302
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
300.162g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
300.421g/mol
Monoisotopic Mass:
300.162g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
63.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
| Using small molecules to overcome drug resistance induced by a viral oncogene. | Cancer cell 20060201 |
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