200,000+ products from a single source!
sales@angenechem.com
Home > Other Heterocycles > 125224-46-6
125224-46-6 | (1S,4S)-2-thia-5-azabicyclo[2.2.1]heptane
CAS No: 125224-46-6 Catalog No: AG01AP42 MDL No:MFCD29054856
Product Description
Catalog Number:
AG01AP42
Chemical Name:
(1S,4S)-2-thia-5-azabicyclo[2.2.1]heptane
CAS Number:
125224-46-6
Molecular Formula:
C5H9NS
Molecular Weight:
115.1967
MDL Number:
MFCD29054856
IUPAC Name:
(1S,4S)-2-thia-5-azabicyclo[2.2.1]heptane
InChI:
InChI=1S/C5H9NS/c1-4-3-7-5(1)2-6-4/h4-6H,1-3H2/t4-,5-/m0/s1
InChI Key:
LTQBUWVDIKUNHJ-WHFBIAKZSA-N
SMILES:
C1S[C@H]2C[C@@H]1NC2
Properties
Complexity:
84.1
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
115.046g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
115.194g/mol
Monoisotopic Mass:
115.046g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.