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141077-31-8 | 1,4,2-Dithiazine, 5,6-dimethyl-3-phenyl-
CAS No: 141077-31-8 Catalog No: AG001FUL MDL No:
Product Description
Catalog Number:
AG001FUL
Chemical Name:
1,4,2-Dithiazine, 5,6-dimethyl-3-phenyl-
CAS Number:
141077-31-8
Molecular Formula:
C11H11NS2
Molecular Weight:
221.3417
IUPAC Name:
5,6-dimethyl-3-phenyl-1,4,2-dithiazine
InChI:
InChI=1S/C11H11NS2/c1-8-9(2)14-12-11(13-8)10-6-4-3-5-7-10/h3-7H,1-2H3
InChI Key:
BQXBURSEUYMOFA-UHFFFAOYSA-N
SMILES:
CC1=C(C)SN=C(S1)c1ccccc1
Properties
Complexity:
275
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.033g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
221.336g/mol
Monoisotopic Mass:
221.033g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
63A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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