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Home > Other Heterocycles > 1955499-68-9
1955499-68-9 | 3-[(2-METHOXYPHENYL)SULFANYL]-8-AZABICYCLO[3.2.1]OCTANE HYDROCHLORIDE
CAS No: 1955499-68-9 Catalog No: AG01AT1A MDL No:MFCD26793139
Product Description
Catalog Number:
AG01AT1A
Chemical Name:
3-[(2-METHOXYPHENYL)SULFANYL]-8-AZABICYCLO[3.2.1]OCTANE HYDROCHLORIDE
CAS Number:
1955499-68-9
Molecular Formula:
C14H20ClNOS
Molecular Weight:
285.8327
MDL Number:
MFCD26793139
IUPAC Name:
3-(2-methoxyphenyl)sulfanyl-8-azabicyclo[3.2.1]octane;hydrochloride
InChI:
InChI=1S/C14H19NOS.ClH/c1-16-13-4-2-3-5-14(13)17-12-8-10-6-7-11(9-12)15-10;/h2-5,10-12,15H,6-9H2,1H3;1H
InChI Key:
JVEYKFICIHRPJH-UHFFFAOYSA-N
SMILES:
COc1ccccc1SC1CC2CCC(C1)N2.Cl
Properties
Complexity:
249
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
285.095g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
285.83g/mol
Monoisotopic Mass:
285.095g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
46.6A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
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