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95602-48-5 | 2H-1,3-Thiazin-2-one, tetrahydro-3-(phenylmethyl)-
CAS No: 95602-48-5 Catalog No: AG006CCQ MDL No:
Product Description
Catalog Number:
AG006CCQ
Chemical Name:
2H-1,3-Thiazin-2-one, tetrahydro-3-(phenylmethyl)-
CAS Number:
95602-48-5
Molecular Formula:
C11H13NOS
Molecular Weight:
207.2920
IUPAC Name:
3-benzyl-1,3-thiazinan-2-one
InChI:
InChI=1S/C11H13NOS/c13-11-12(7-4-8-14-11)9-10-5-2-1-3-6-10/h1-3,5-6H,4,7-9H2
InChI Key:
DSFZJKRMTXXUOF-UHFFFAOYSA-N
SMILES:
O=C1SCCCN1Cc1ccccc1
Properties
Complexity:
202
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
207.072g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
207.291g/mol
Monoisotopic Mass:
207.072g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
45.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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