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88439-32-1 | 1,5-Dithia-9,13-diazacyclohexadecane
CAS No: 88439-32-1 Catalog No: AG004HCC MDL No:
Product Description
Catalog Number:
AG004HCC
Chemical Name:
1,5-Dithia-9,13-diazacyclohexadecane
CAS Number:
88439-32-1
Molecular Formula:
C12H26N2S2
Molecular Weight:
262.4782
IUPAC Name:
1,5-dithia-9,13-diazacyclohexadecane
InChI:
InChI=1S/C12H26N2S2/c1-5-13-7-2-9-15-11-4-12-16-10-3-8-14-6-1/h13-14H,1-12H2
InChI Key:
HPOIYEQILRNVHT-UHFFFAOYSA-N
SMILES:
C1CCNCCCSCCCSCCCN1
Properties
Complexity:
131
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
262.154g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
262.474g/mol
Monoisotopic Mass:
262.154g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
74.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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