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64416-12-2

64416-12-2 | 2H-1,4-Thiazine, 4-benzoyl-3,4-dihydro-

CAS No: 64416-12-2 Catalog No: AG00H7LN MDL No:

Product Description

Catalog Number:
AG00H7LN
Chemical Name:
2H-1,4-Thiazine, 4-benzoyl-3,4-dihydro-
CAS Number:
64416-12-2
Molecular Formula:
C11H11NOS
Molecular Weight:
205.2761
IUPAC Name:
2,3-dihydro-1,4-thiazin-4-yl(phenyl)methanone
InChI:
InChI=1S/C11H11NOS/c13-11(10-4-2-1-3-5-10)12-6-8-14-9-7-12/h1-6,8H,7,9H2
InChI Key:
KZHIOZSYPGDCKB-UHFFFAOYSA-N
SMILES:
O=C(c1ccccc1)N1CCSC=C1

Properties

Complexity:
233  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
205.056g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
205.275g/mol
Monoisotopic Mass:
205.056g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
45.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  

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