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23515-39-1 | 2H-1,3,5-Thiadiazine-2-thione, 3-(4-bromo-3-methylphenyl)-5-ethyltetrahydro-
CAS No: 23515-39-1 Catalog No: AG002NIP MDL No:
Product Description
Catalog Number:
AG002NIP
Chemical Name:
2H-1,3,5-Thiadiazine-2-thione, 3-(4-bromo-3-methylphenyl)-5-ethyltetrahydro-
CAS Number:
23515-39-1
Molecular Formula:
C12H15BrN2S2
Molecular Weight:
331.2949
IUPAC Name:
3-(4-bromo-3-methylphenyl)-5-ethyl-1,3,5-thiadiazinane-2-thione
InChI:
InChI=1S/C12H15BrN2S2/c1-3-14-7-15(12(16)17-8-14)10-4-5-11(13)9(2)6-10/h4-6H,3,7-8H2,1-2H3
InChI Key:
WDJQBKRNPYQTQA-UHFFFAOYSA-N
SMILES:
CCN1CSC(=S)N(C1)c1ccc(c(c1)C)Br
Properties
Complexity:
288
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
329.986g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
331.29g/mol
Monoisotopic Mass:
329.986g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
63.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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