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Home > Other Building Blocks > 122011-96-5
122011-96-5 | 1,4,7-Trithia-10-azacyclododecane
CAS No: 122011-96-5 Catalog No: AG0016MN MDL No:
Product Description
Catalog Number:
AG0016MN
Chemical Name:
1,4,7-Trithia-10-azacyclododecane
CAS Number:
122011-96-5
Molecular Formula:
C8H17NS3
Molecular Weight:
223.4223
IUPAC Name:
1,4,7-trithia-10-azacyclododecane
InChI:
InChI=1S/C8H17NS3/c1-3-10-5-7-12-8-6-11-4-2-9-1/h9H,1-8H2
InChI Key:
PQKVTLPUUMJPPI-UHFFFAOYSA-N
SMILES:
C1NCCSCCSCCSC1
Properties
Complexity:
90.3
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.052g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
223.411g/mol
Monoisotopic Mass:
223.052g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
87.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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