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24918-63-6 | 1-Oxa-4,10-dithia-7-azacyclododecane
CAS No: 24918-63-6 Catalog No: AG002PUQ MDL No:
Product Description
Catalog Number:
AG002PUQ
Chemical Name:
1-Oxa-4,10-dithia-7-azacyclododecane
CAS Number:
24918-63-6
Molecular Formula:
C8H17NOS2
Molecular Weight:
207.3567
IUPAC Name:
1-oxa-4,10-dithia-7-azacyclododecane
InChI:
InChI=1S/C8H17NOS2/c1-5-11-7-3-10-4-8-12-6-2-9-1/h9H,1-8H2
InChI Key:
TWXISWZVCABCLG-UHFFFAOYSA-N
SMILES:
C1NCCSCCOCCSC1
Properties
Complexity:
93.1
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
207.075g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
207.35g/mol
Monoisotopic Mass:
207.075g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
71.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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