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Home > Other Heterocycles > 1823350-92-0
1823350-92-0 | 3-[(1-METHYL-1H-1,2,3,4-TETRAZOL-5-YL)SULFANYL]-8-AZABICYCLO[3.2.1]OCTANE+
CAS No: 1823350-92-0 Catalog No: AG01AT0J MDL No:MFCD26793121
Product Description
Catalog Number:
AG01AT0J
Chemical Name:
3-[(1-METHYL-1H-1,2,3,4-TETRAZOL-5-YL)SULFANYL]-8-AZABICYCLO[3.2.1]OCTANE+
CAS Number:
1823350-92-0
Molecular Formula:
C9H16ClN5S
Molecular Weight:
261.7748
MDL Number:
MFCD26793121
IUPAC Name:
3-(1-methyltetrazol-5-yl)sulfanyl-8-azabicyclo[3.2.1]octane;hydrochloride
InChI:
InChI=1S/C9H15N5S.ClH/c1-14-9(11-12-13-14)15-8-4-6-2-3-7(5-8)10-6;/h6-8,10H,2-5H2,1H3;1H
InChI Key:
UVHYLEHJEQEAAS-UHFFFAOYSA-N
SMILES:
Cn1nnnc1SC1CC2CCC(C1)N2.Cl
Properties
Complexity:
227
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
261.081g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
261.772g/mol
Monoisotopic Mass:
261.081g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
80.9A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
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