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52421-59-7 | 6H-1,3-Thiazine-6-thione, 2-phenyl-
CAS No: 52421-59-7 Catalog No: AG006U8D MDL No:
Product Description
Catalog Number:
AG006U8D
Chemical Name:
6H-1,3-Thiazine-6-thione, 2-phenyl-
CAS Number:
52421-59-7
Molecular Formula:
C10H7NS2
Molecular Weight:
205.2993
IUPAC Name:
2-phenyl-1,3-thiazine-6-thione
InChI:
InChI=1S/C10H7NS2/c12-9-6-7-11-10(13-9)8-4-2-1-3-5-8/h1-7H
InChI Key:
KLQVRSAPHZYNSK-UHFFFAOYSA-N
SMILES:
S=c1ccnc(s1)c1ccccc1
Properties
Complexity:
262
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
205.002g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
205.293g/mol
Monoisotopic Mass:
205.002g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
69.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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