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23515-37-9 | 2H-1,3,5-Thiadiazine-2-thione, 3-(4-bromo-3-chlorophenyl)-5-cyclohexyltetrahydro-
CAS No: 23515-37-9 Catalog No: AG002NIR MDL No:
Product Description
Catalog Number:
AG002NIR
Chemical Name:
2H-1,3,5-Thiadiazine-2-thione, 3-(4-bromo-3-chlorophenyl)-5-cyclohexyltetrahydro-
CAS Number:
23515-37-9
Molecular Formula:
C15H18BrClN2S2
Molecular Weight:
405.8038
IUPAC Name:
3-(4-bromo-3-chlorophenyl)-5-cyclohexyl-1,3,5-thiadiazinane-2-thione
InChI:
InChI=1S/C15H18BrClN2S2/c16-13-7-6-12(8-14(13)17)19-9-18(10-21-15(19)20)11-4-2-1-3-5-11/h6-8,11H,1-5,9-10H2
InChI Key:
LPKNDFTXFNYIHD-UHFFFAOYSA-N
SMILES:
S=C1SCN(CN1c1ccc(c(c1)Cl)Br)C1CCCCC1
Properties
Complexity:
379
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
403.978g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
405.797g/mol
Monoisotopic Mass:
403.978g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
63.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6
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