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Home > Other Heterocycles > 1823895-33-5
1823895-33-5 | 3-[(4-METHYL-4H-1,2,4-TRIAZOL-3-YL)SULFANYL]-8-AZABICYCLO[3.2.1]OCTANE HY+
CAS No: 1823895-33-5 Catalog No: AG01AT0N MDL No:MFCD26793126
Product Description
Catalog Number:
AG01AT0N
Chemical Name:
3-[(4-METHYL-4H-1,2,4-TRIAZOL-3-YL)SULFANYL]-8-AZABICYCLO[3.2.1]OCTANE HY+
CAS Number:
1823895-33-5
Molecular Formula:
C10H17ClN4S
Molecular Weight:
260.7868
MDL Number:
MFCD26793126
IUPAC Name:
3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-8-azabicyclo[3.2.1]octane;hydrochloride
InChI:
InChI=1S/C10H16N4S.ClH/c1-14-6-11-13-10(14)15-9-4-7-2-3-8(5-9)12-7;/h6-9,12H,2-5H2,1H3;1H
InChI Key:
CQAAAUZVNLHJQX-UHFFFAOYSA-N
SMILES:
Cn1cnnc1SC1CC2CCC(C1)N2.Cl
Properties
Complexity:
226
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
260.086g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
260.784g/mol
Monoisotopic Mass:
260.086g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
68A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
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