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89996-60-1 | Cyclohepta[d][1,3]thiazine, 2-butoxy-4,5,6,7,8,9-hexahydro-
CAS No: 89996-60-1 Catalog No: AG006MF0 MDL No:
Product Description
Catalog Number:
AG006MF0
Chemical Name:
Cyclohepta[d][1,3]thiazine, 2-butoxy-4,5,6,7,8,9-hexahydro-
CAS Number:
89996-60-1
Molecular Formula:
C13H21NOS
Molecular Weight:
239.3769
IUPAC Name:
2-butoxy-4,5,6,7,8,9-hexahydrocyclohepta[d][1,3]thiazine
InChI:
InChI=1S/C13H21NOS/c1-2-3-9-15-13-14-12-8-6-4-5-7-11(12)10-16-13/h2-10H2,1H3
InChI Key:
UMKYTSJVPYQRCW-UHFFFAOYSA-N
SMILES:
CCCCOC1=NC2=C(CS1)CCCCC2
Properties
Complexity:
296
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
239.134g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
239.377g/mol
Monoisotopic Mass:
239.134g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
46.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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