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16781-39-8 | 4H-3,1-Benzothiazin-2-amine, 6-chloro-N-ethyl-4-phenyl-
CAS No: 16781-39-8 Catalog No: AG001XM1 MDL No:
Product Description
Catalog Number:
AG001XM1
Chemical Name:
4H-3,1-Benzothiazin-2-amine, 6-chloro-N-ethyl-4-phenyl-
CAS Number:
16781-39-8
Molecular Formula:
C16H15ClN2S
Molecular Weight:
302.8217
IUPAC Name:
6-chloro-N-ethyl-4-phenyl-1,4-dihydro-3,1-benzothiazin-2-imine
InChI:
InChI=1S/C16H15ClN2S/c1-2-18-16-19-14-9-8-12(17)10-13(14)15(20-16)11-6-4-3-5-7-11/h3-10,15H,2H2,1H3,(H,18,19)
InChI Key:
ZGOWZGZRTGGMMM-UHFFFAOYSA-N
SMILES:
CCNC1=Nc2ccc(cc2C(S1)c1ccccc1)Cl
Properties
Complexity:
354
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
302.064g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
302.82g/mol
Monoisotopic Mass:
302.064g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
49.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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