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23515-35-7 | 2H-1,3,5-Thiadiazine-2-thione, 3-(4-bromo-3-chlorophenyl)-5-butyltetrahydro-
CAS No: 23515-35-7 Catalog No: AG002NIS MDL No:
Product Description
Catalog Number:
AG002NIS
Chemical Name:
2H-1,3,5-Thiadiazine-2-thione, 3-(4-bromo-3-chlorophenyl)-5-butyltetrahydro-
CAS Number:
23515-35-7
Molecular Formula:
C13H16BrClN2S2
Molecular Weight:
379.7665
IUPAC Name:
3-(4-bromo-3-chlorophenyl)-5-butyl-1,3,5-thiadiazinane-2-thione
InChI:
InChI=1S/C13H16BrClN2S2/c1-2-3-6-16-8-17(13(18)19-9-16)10-4-5-11(14)12(15)7-10/h4-5,7H,2-3,6,8-9H2,1H3
InChI Key:
WLLBIFQKYXMWKW-UHFFFAOYSA-N
SMILES:
CCCCN1CSC(=S)N(C1)c1ccc(c(c1)Cl)Br
Properties
Complexity:
319
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
377.963g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
379.759g/mol
Monoisotopic Mass:
377.963g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
63.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.4
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