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88415-44-5 | Ethanone, 1-[2-[(phenylmethyl)thio]-6H-1,3-thiazin-5-yl]-
CAS No: 88415-44-5 Catalog No: AG004EWY MDL No:
Product Description
Catalog Number:
AG004EWY
Chemical Name:
Ethanone, 1-[2-[(phenylmethyl)thio]-6H-1,3-thiazin-5-yl]-
CAS Number:
88415-44-5
Molecular Formula:
C13H13NOS2
Molecular Weight:
263.3784
IUPAC Name:
1-(2-benzylsulfanyl-6H-1,3-thiazin-5-yl)ethanone
InChI:
InChI=1S/C13H13NOS2/c1-10(15)12-7-14-13(17-9-12)16-8-11-5-3-2-4-6-11/h2-7H,8-9H2,1H3
InChI Key:
FAOJOHUQTSFCHB-UHFFFAOYSA-N
SMILES:
CC(=O)C1=CN=C(SC1)SCc1ccccc1
Properties
Complexity:
343
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
263.044g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
263.373g/mol
Monoisotopic Mass:
263.044g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
80A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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