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Home > Other Heterocycles > 1823257-76-6
1823257-76-6 | 3-[(4-METHYLPHENYL)SULFANYL]-8-AZABICYCLO[3.2.1]OCTANE HYDROCHLORIDE
CAS No: 1823257-76-6 Catalog No: AG01AT0H MDL No:MFCD26793119
Product Description
Catalog Number:
AG01AT0H
Chemical Name:
3-[(4-METHYLPHENYL)SULFANYL]-8-AZABICYCLO[3.2.1]OCTANE HYDROCHLORIDE
CAS Number:
1823257-76-6
Molecular Formula:
C14H20ClNS
Molecular Weight:
269.8333
MDL Number:
MFCD26793119
IUPAC Name:
3-(4-methylphenyl)sulfanyl-8-azabicyclo[3.2.1]octane;hydrochloride
InChI:
InChI=1S/C14H19NS.ClH/c1-10-2-6-13(7-3-10)16-14-8-11-4-5-12(9-14)15-11;/h2-3,6-7,11-12,14-15H,4-5,8-9H2,1H3;1H
InChI Key:
MROJLDQHAZTIPN-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)SC1CC2CCC(C1)N2.Cl
Properties
Complexity:
223
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
269.1g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
269.831g/mol
Monoisotopic Mass:
269.1g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
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