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89996-53-2 | 4H-3,1-Benzothiazine, 2-ethoxy-5,6,7,8-tetrahydro-
CAS No: 89996-53-2 Catalog No: AG006MF1 MDL No:
Product Description
Catalog Number:
AG006MF1
Chemical Name:
4H-3,1-Benzothiazine, 2-ethoxy-5,6,7,8-tetrahydro-
CAS Number:
89996-53-2
Molecular Formula:
C10H15NOS
Molecular Weight:
197.2972
IUPAC Name:
2-ethoxy-5,6,7,8-tetrahydro-4H-3,1-benzothiazine
InChI:
InChI=1S/C10H15NOS/c1-2-12-10-11-9-6-4-3-5-8(9)7-13-10/h2-7H2,1H3
InChI Key:
DRWOBZVQAGMPEC-UHFFFAOYSA-N
SMILES:
CCOC1=NC2=C(CS1)CCCC2
Properties
Complexity:
258
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
197.087g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
197.296g/mol
Monoisotopic Mass:
197.087g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
46.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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