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Home > Other Heterocycles > 329-95-3
329-95-3 | 3-thia-7-azabicyclo[3.3.1]nonane
CAS No: 329-95-3 Catalog No: AG01BKEA MDL No:MFCD19218770
Product Description
Catalog Number:
AG01BKEA
Chemical Name:
3-thia-7-azabicyclo[3.3.1]nonane
CAS Number:
329-95-3
Molecular Formula:
C7H13NS
Molecular Weight:
143.2498
MDL Number:
MFCD19218770
IUPAC Name:
3-thia-7-azabicyclo[3.3.1]nonane
InChI:
InChI=1S/C7H13NS/c1-6-2-8-3-7(1)5-9-4-6/h6-8H,1-5H2
InChI Key:
DUYSRTMRDDRCQC-UHFFFAOYSA-N
SMILES:
N1CC2CSCC(C1)C2
Properties
Complexity:
95.1
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
143.077g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
143.248g/mol
Monoisotopic Mass:
143.077g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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