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1263281-11-3 | 1,3,4-Thiadiazol-2-amine, 5-[(2-oxa-8-azaspiro[4.5]dec-3-ylmethyl)thio]-
CAS No: 1263281-11-3 Catalog No: AG000SKR MDL No:
Product Description
Catalog Number:
AG000SKR
Chemical Name:
1,3,4-Thiadiazol-2-amine, 5-[(2-oxa-8-azaspiro[4.5]dec-3-ylmethyl)thio]-
CAS Number:
1263281-11-3
Molecular Formula:
C11H18N4OS2
Molecular Weight:
286.4168
IUPAC Name:
5-(2-oxa-8-azaspiro[4.5]decan-3-ylmethylsulfanyl)-1,3,4-thiadiazol-2-amine
InChI:
InChI=1S/C11H18N4OS2/c12-9-14-15-10(18-9)17-6-8-5-11(7-16-8)1-3-13-4-2-11/h8,13H,1-7H2,(H2,12,14)
InChI Key:
FVSHXMKGFZCQPH-UHFFFAOYSA-N
SMILES:
Nc1nnc(s1)SCC1OCC2(C1)CCNCC2
Properties
Complexity:
288
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
286.092g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
286.412g/mol
Monoisotopic Mass:
286.092g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
127A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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