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23515-38-0 | 2H-1,3,5-Thiadiazine-2-thione, 3-(4-bromo-3-methylphenyl)tetrahydro-5-methyl-
CAS No: 23515-38-0 Catalog No: AG002NIQ MDL No:
Product Description
Catalog Number:
AG002NIQ
Chemical Name:
2H-1,3,5-Thiadiazine-2-thione, 3-(4-bromo-3-methylphenyl)tetrahydro-5-methyl-
CAS Number:
23515-38-0
Molecular Formula:
C11H13BrN2S2
Molecular Weight:
317.2683
IUPAC Name:
3-(4-bromo-3-methylphenyl)-5-methyl-1,3,5-thiadiazinane-2-thione
InChI:
InChI=1S/C11H13BrN2S2/c1-8-5-9(3-4-10(8)12)14-6-13(2)7-16-11(14)15/h3-5H,6-7H2,1-2H3
InChI Key:
AEESBQFCABUVNH-UHFFFAOYSA-N
SMILES:
CN1CSC(=S)N(C1)c1ccc(c(c1)C)Br
Properties
Complexity:
275
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
315.97g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
317.263g/mol
Monoisotopic Mass:
315.97g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
63.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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