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Home > Other Heterocycles > 4083-56-1
4083-56-1 | 1-thia-4-azaspiro[5.5]undecane
CAS No: 4083-56-1 Catalog No: AG019YKC MDL No:MFCD20672742
Product Description
Catalog Number:
AG019YKC
Chemical Name:
1-thia-4-azaspiro[5.5]undecane
CAS Number:
4083-56-1
Molecular Formula:
C9H17NS
Molecular Weight:
171.3030
MDL Number:
MFCD20672742
IUPAC Name:
1-thia-4-azaspiro[5.5]undecane
InChI:
InChI=1S/C9H17NS/c1-2-4-9(5-3-1)8-10-6-7-11-9/h10H,1-8H2
InChI Key:
UXMJMQZMIIBTSI-UHFFFAOYSA-N
SMILES:
C1CCC2(CC1)CNCCS2
Properties
Complexity:
130
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
171.108g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
171.302g/mol
Monoisotopic Mass:
171.108g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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