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Home > Other Heterocycles > 1862436-66-5
1862436-66-5 | 1-(thiophen-3-yl)-2-azaspiro[3.3]heptane
CAS No: 1862436-66-5 Catalog No: AG01C2SJ MDL No:MFCD29991270
Product Description
Catalog Number:
AG01C2SJ
Chemical Name:
1-(thiophen-3-yl)-2-azaspiro[3.3]heptane
CAS Number:
1862436-66-5
Molecular Formula:
C10H13NS
Molecular Weight:
179.2819
MDL Number:
MFCD29991270
IUPAC Name:
3-thiophen-3-yl-2-azaspiro[3.3]heptane
InChI:
InChI=1S/C10H13NS/c1-3-10(4-1)7-11-9(10)8-2-5-12-6-8/h2,5-6,9,11H,1,3-4,7H2
InChI Key:
KEQHFBXMNAFETQ-UHFFFAOYSA-N
SMILES:
C1CC2(C1)CNC2c1cscc1
Properties
Complexity:
188
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
179.077g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
179.281g/mol
Monoisotopic Mass:
179.077g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
40.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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