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Home > Other Heterocycles > 87385-36-2
87385-36-2 | 3-Thia-7,11-diazaspiro[5.6]dodecane, 2-ethyl-2-methyl-
CAS No: 87385-36-2 Catalog No: AG004NTT MDL No:
Product Description
Catalog Number:
AG004NTT
Chemical Name:
3-Thia-7,11-diazaspiro[5.6]dodecane, 2-ethyl-2-methyl-
CAS Number:
87385-36-2
Molecular Formula:
C12H24N2S
Molecular Weight:
228.3974
IUPAC Name:
4-ethyl-4-methyl-3-thia-7,11-diazaspiro[5.6]dodecane
InChI:
InChI=1S/C12H24N2S/c1-3-11(2)9-12(5-8-15-11)10-13-6-4-7-14-12/h13-14H,3-10H2,1-2H3
InChI Key:
MXXITJMAPTZFCE-UHFFFAOYSA-N
SMILES:
CCC1(C)SCCC2(C1)CNCCCN2
Properties
Complexity:
222
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.166g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
228.398g/mol
Monoisotopic Mass:
228.166g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
49.4A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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