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Home > Other Heterocycles > 174823-39-3
174823-39-3 | 2,5-Diazabicyclo[2.2.1]heptane, 2-(1,2,4-thiadiazol-5-yl)-, (1S)- (9CI)
CAS No: 174823-39-3 Catalog No: AG001ZZP MDL No:
Product Description
Catalog Number:
AG001ZZP
Chemical Name:
2,5-Diazabicyclo[2.2.1]heptane, 2-(1,2,4-thiadiazol-5-yl)-, (1S)- (9CI)
CAS Number:
174823-39-3
Molecular Formula:
C7H10N4S
Molecular Weight:
182.2461
IUPAC Name:
5-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-1,2,4-thiadiazole
InChI:
InChI=1S/C7H10N4S/c1-5-3-11(6(1)2-8-5)7-9-4-10-12-7/h4-6,8H,1-3H2/t5-,6-/m0/s1
InChI Key:
XFMFPSKKIZDHFB-WDSKDSINSA-N
SMILES:
c1nsc(n1)N1CC2C[C@H]1CN2
Properties
Complexity:
188
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
182.063g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
182.245g/mol
Monoisotopic Mass:
182.063g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
69.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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