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89996-51-0 | Cyclopenta[d][1,3]thiazine, 2-ethoxy-4,5,6,7-tetrahydro-
CAS No: 89996-51-0 Catalog No: AG006MF2 MDL No:
Product Description
Catalog Number:
AG006MF2
Chemical Name:
Cyclopenta[d][1,3]thiazine, 2-ethoxy-4,5,6,7-tetrahydro-
CAS Number:
89996-51-0
Molecular Formula:
C9H13NOS
Molecular Weight:
183.2706
IUPAC Name:
2-ethoxy-4,5,6,7-tetrahydrocyclopenta[d][1,3]thiazine
InChI:
InChI=1S/C9H13NOS/c1-2-11-9-10-8-5-3-4-7(8)6-12-9/h2-6H2,1H3
InChI Key:
JLOTXLFYISRYGY-UHFFFAOYSA-N
SMILES:
CCOC1=NC2=C(CS1)CCC2
Properties
Complexity:
245
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
183.072g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
183.269g/mol
Monoisotopic Mass:
183.072g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
46.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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