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Home > Other Heterocycles > 177-07-1
177-07-1 | 1-Thia-4-azaspiro[4.5]decane (6CI,7CI,8CI,9CI)
CAS No: 177-07-1 Catalog No: AG00251Z MDL No:MFCD20617320
Product Description
Catalog Number:
AG00251Z
Chemical Name:
1-Thia-4-azaspiro[4.5]decane (6CI,7CI,8CI,9CI)
CAS Number:
177-07-1
Molecular Formula:
C8H15NS
Molecular Weight:
157.2764
MDL Number:
MFCD20617320
IUPAC Name:
1-thia-4-azaspiro[4.5]decane
InChI:
InChI=1S/C8H15NS/c1-2-4-8(5-3-1)9-6-7-10-8/h9H,1-7H2
InChI Key:
DEFXLTDEFZBBPO-UHFFFAOYSA-N
SMILES:
C1CCC2(CC1)NCCS2
Properties
Complexity:
118
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
157.093g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
157.275g/mol
Monoisotopic Mass:
157.093g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
Literature
| Title | Journal |
|---|---|
| Discovery of nonpeptidic small-molecule AP-1 inhibitors: lead hopping based on a three-dimensional pharmacophore model. | Journal of medicinal chemistry 20060112 |
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