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852400-05-6 | 9-imino-10-(4-methyl-1,3-thiazol-2-yl)-7-sulfanyl-8-azaspiro[4.5]dec-6-ene-6-carbonitrile
CAS No: 852400-05-6 Catalog No: AG019O4Z MDL No:MFCD06655497
Product Description
Catalog Number:
AG019O4Z
Chemical Name:
9-imino-10-(4-methyl-1,3-thiazol-2-yl)-7-sulfanyl-8-azaspiro[4.5]dec-6-ene-6-carbonitrile
CAS Number:
852400-05-6
Molecular Formula:
C14H16N4S2
Molecular Weight:
304.4336
MDL Number:
MFCD06655497
IUPAC Name:
7-amino-6-(4-methyl-1,3-thiazol-2-yl)-9-sulfanyl-8-azaspiro[4.5]deca-7,9-diene-10-carbonitrile
InChI:
InChI=1S/C14H16N4S2/c1-8-7-20-13(17-8)10-11(16)18-12(19)9(6-15)14(10)4-2-3-5-14/h7,10,19H,2-5H2,1H3,(H2,16,18)
InChI Key:
LCGGOWPFINJVAZ-UHFFFAOYSA-N
SMILES:
N#CC1=C(S)NC(=N)C(C21CCCC2)c1scc(n1)C
Properties
Complexity:
525
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
304.082g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
304.43g/mol
Monoisotopic Mass:
304.082g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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