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16771-36-1 | 4H-3,1-Benzothiazin-2-amine, N-ethyl-4-methyl-
CAS No: 16771-36-1 Catalog No: AG001XKI MDL No:
Product Description
Catalog Number:
AG001XKI
Chemical Name:
4H-3,1-Benzothiazin-2-amine, N-ethyl-4-methyl-
CAS Number:
16771-36-1
Molecular Formula:
C11H14N2S
Molecular Weight:
206.3073
IUPAC Name:
N-ethyl-4-methyl-1,4-dihydro-3,1-benzothiazin-2-imine
InChI:
InChI=1S/C11H14N2S/c1-3-12-11-13-10-7-5-4-6-9(10)8(2)14-11/h4-8H,3H2,1-2H3,(H,12,13)
InChI Key:
ATLXNSGAKLDEIG-UHFFFAOYSA-N
SMILES:
CCNC1=Nc2c(C(S1)C)cccc2
Properties
Complexity:
227
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
206.088g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
206.307g/mol
Monoisotopic Mass:
206.088g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
49.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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