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Home > Imidazoles > 1823943-79-8
1823943-79-8 | 3-[(1-METHYL-1H-IMIDAZOL-2-YL)SULFANYL]-8-AZABICYCLO[3.2.1]OCTANE HYDROCH+
CAS No: 1823943-79-8 Catalog No: AG01AT15 MDL No:MFCD26793134
Product Description
Catalog Number:
AG01AT15
Chemical Name:
3-[(1-METHYL-1H-IMIDAZOL-2-YL)SULFANYL]-8-AZABICYCLO[3.2.1]OCTANE HYDROCH+
CAS Number:
1823943-79-8
Molecular Formula:
C11H18ClN3S
Molecular Weight:
259.7987
MDL Number:
MFCD26793134
IUPAC Name:
3-(1-methylimidazol-2-yl)sulfanyl-8-azabicyclo[3.2.1]octane;hydrochloride
InChI:
InChI=1S/C11H17N3S.ClH/c1-14-5-4-12-11(14)15-10-6-8-2-3-9(7-10)13-8;/h4-5,8-10,13H,2-3,6-7H2,1H3;1H
InChI Key:
ANYDIYPTLMWFLF-UHFFFAOYSA-N
SMILES:
Cn1ccnc1SC1CC2CCC(C1)N2.Cl
Properties
Complexity:
224
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
259.091g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
259.796g/mol
Monoisotopic Mass:
259.091g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
55.2A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
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