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Home Other Building Blocks 1,4,10,13-Tetrathia-7,16-diazacyclooctadecane

1,4,10,13-Tetrathia-7,16-diazacyclooctadecane

CAS No.:
20934-69-4
Catalog Number:
AG002K6Y
Molecular Formula:
C12H26N2S4
Molecular Weight:
326.6082
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Product Description
Catalog Number:
AG002K6Y
Chemical Name:
1,4,10,13-Tetrathia-7,16-diazacyclooctadecane
CAS Number:
20934-69-4
Molecular Formula:
C12H26N2S4
Molecular Weight:
326.6082
MDL Number:
MFCD00051807
IUPAC Name:
1,4,10,13-tetrathia-7,16-diazacyclooctadecane
InChI:
InChI=1S/C12H26N2S4/c1-5-15-9-10-17-7-3-14-4-8-18-12-11-16-6-2-13-1/h13-14H,1-12H2
InChI Key:
HDQRZGDWLMSBSD-UHFFFAOYSA-N
SMILES:
C1NCCSCCSCCNCCSCCSC1
Properties
Complexity:
138  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
326.098g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
326.594g/mol
Monoisotopic Mass:
326.098g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
125A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  
Literature
Title Journal
Cadmium-113 NMR studies on homoleptic complexes containing thioether ligands: the crystal structures of [Cd([12]aneS4)2](ClO4)2, [Cd([18]aneS4N2)](PF6)2 and [Cd([9]aneS3)2](PF6)2. Dalton transactions (Cambridge, England : 2003) 20060807
Properties