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13821-89-1 | 1H-Azepine, 1,1'-(dithiodicarbonothioyl)bis[hexahydro-
CAS No: 13821-89-1 Catalog No: AG0018B3 MDL No:
Product Description
Catalog Number:
AG0018B3
Chemical Name:
1H-Azepine, 1,1'-(dithiodicarbonothioyl)bis[hexahydro-
CAS Number:
13821-89-1
Molecular Formula:
C14H24N2S4
Molecular Weight:
348.6138
IUPAC Name:
azepane-1-carbothioylsulfanyl azepane-1-carbodithioate
InChI:
InChI=1S/C14H24N2S4/c17-13(15-9-5-1-2-6-10-15)19-20-14(18)16-11-7-3-4-8-12-16/h1-12H2
InChI Key:
RVRRUNSLNGORFO-UHFFFAOYSA-N
SMILES:
S=C(N1CCCCCC1)SSC(=S)N1CCCCCC1
Properties
Complexity:
287
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
348.082g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
348.6g/mol
Monoisotopic Mass:
348.082g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
121A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
Literature
| Title | Journal |
|---|---|
| Bis(dialkylaminethiocarbonyl)disulfides as potent and selective monoglyceride lipase inhibitors. | Journal of medicinal chemistry 20091126 |
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