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Home > Other Heterocycles > 1263280-62-1
1263280-62-1 | 2-Oxa-8-azaspiro[4.5]decane, 3-[[(5-methyl-1,3,4-thiadiazol-2-yl)thio]methyl]-
CAS No: 1263280-62-1 Catalog No: AG000SKT MDL No:
Product Description
Catalog Number:
AG000SKT
Chemical Name:
2-Oxa-8-azaspiro[4.5]decane, 3-[[(5-methyl-1,3,4-thiadiazol-2-yl)thio]methyl]-
CAS Number:
1263280-62-1
Molecular Formula:
C12H19N3OS2
Molecular Weight:
285.4288
IUPAC Name:
3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-2-oxa-8-azaspiro[4.5]decane
InChI:
InChI=1S/C12H19N3OS2/c1-9-14-15-11(18-9)17-7-10-6-12(8-16-10)2-4-13-5-3-12/h10,13H,2-8H2,1H3
InChI Key:
IHXYPODPZIFCGM-UHFFFAOYSA-N
SMILES:
Cc1nnc(s1)SCC1OCC2(C1)CCNCC2
Properties
Complexity:
287
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
285.097g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
285.424g/mol
Monoisotopic Mass:
285.097g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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