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Home > Other Heterocycles > 50848-31-2
50848-31-2 | 9-thia-3-azabicyclo[4.2.1]nonane hydrochloride
CAS No: 50848-31-2 Catalog No: AG01BV1R MDL No:MFCD30476221
Product Description
Catalog Number:
AG01BV1R
Chemical Name:
9-thia-3-azabicyclo[4.2.1]nonane hydrochloride
CAS Number:
50848-31-2
Molecular Formula:
C7H14ClNS
Molecular Weight:
179.7108
MDL Number:
MFCD30476221
IUPAC Name:
9-thia-3-azabicyclo[4.2.1]nonane;hydrochloride
InChI:
InChI=1S/C7H13NS.ClH/c1-2-7-5-8-4-3-6(1)9-7;/h6-8H,1-5H2;1H
InChI Key:
QDMVFECJYZIOBR-UHFFFAOYSA-N
SMILES:
C1NCC2SC(C1)CC2.Cl
Properties
Complexity:
105
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
179.054g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
179.706g/mol
Monoisotopic Mass:
179.054g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
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