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23515-34-6 | 2H-1,3,5-Thiadiazine-2-thione, 3-(4-bromo-3-chlorophenyl)-5-ethyltetrahydro-
CAS No: 23515-34-6 Catalog No: AG002NIT MDL No:
Product Description
Catalog Number:
AG002NIT
Chemical Name:
2H-1,3,5-Thiadiazine-2-thione, 3-(4-bromo-3-chlorophenyl)-5-ethyltetrahydro-
CAS Number:
23515-34-6
Molecular Formula:
C11H12BrClN2S2
Molecular Weight:
351.7134
IUPAC Name:
3-(4-bromo-3-chlorophenyl)-5-ethyl-1,3,5-thiadiazinane-2-thione
InChI:
InChI=1S/C11H12BrClN2S2/c1-2-14-6-15(11(16)17-7-14)8-3-4-9(12)10(13)5-8/h3-5H,2,6-7H2,1H3
InChI Key:
OALHFIXAHPNEBT-UHFFFAOYSA-N
SMILES:
CCN1CSC(=S)N(C1)c1ccc(c(c1)Cl)Br
Properties
Complexity:
293
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
349.931g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
351.705g/mol
Monoisotopic Mass:
349.931g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
63.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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