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113767-17-2 | 1-Thia-4-azaspiro[4.5]decan-3-one, 4-(6-methyl-2-benzothiazolyl)-
CAS No: 113767-17-2 Catalog No: AG0009M4 MDL No:
Product Description
Catalog Number:
AG0009M4
Chemical Name:
1-Thia-4-azaspiro[4.5]decan-3-one, 4-(6-methyl-2-benzothiazolyl)-
CAS Number:
113767-17-2
Molecular Formula:
C16H18N2OS2
Molecular Weight:
318.4569
IUPAC Name:
4-(6-methyl-1,3-benzothiazol-2-yl)-1-thia-4-azaspiro[4.5]decan-3-one
InChI:
InChI=1S/C16H18N2OS2/c1-11-5-6-12-13(9-11)21-15(17-12)18-14(19)10-20-16(18)7-3-2-4-8-16/h5-6,9H,2-4,7-8,10H2,1H3
InChI Key:
PCJHORUBJQVODI-UHFFFAOYSA-N
SMILES:
Cc1ccc2c(c1)sc(n2)N1C(=O)CSC21CCCCC2
Properties
Complexity:
425
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
318.086g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
318.453g/mol
Monoisotopic Mass:
318.086g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
86.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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