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23515-03-9 | 2H-1,3,5-Thiadiazine-2-thione, 5-cyclohexyltetrahydro-3-(phenylmethyl)-
CAS No: 23515-03-9 Catalog No: AG002NJ7 MDL No:
Product Description
Catalog Number:
AG002NJ7
Chemical Name:
2H-1,3,5-Thiadiazine-2-thione, 5-cyclohexyltetrahydro-3-(phenylmethyl)-
CAS Number:
23515-03-9
Molecular Formula:
C16H22N2S2
Molecular Weight:
306.4893
IUPAC Name:
3-benzyl-5-cyclohexyl-1,3,5-thiadiazinane-2-thione
InChI:
InChI=1S/C16H22N2S2/c19-16-17(11-14-7-3-1-4-8-14)12-18(13-20-16)15-9-5-2-6-10-15/h1,3-4,7-8,15H,2,5-6,9-13H2
InChI Key:
RLAGJAZCYNFGCN-UHFFFAOYSA-N
SMILES:
S=C1SCN(CN1Cc1ccccc1)C1CCCCC1
Properties
Complexity:
322
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
306.122g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
306.486g/mol
Monoisotopic Mass:
306.122g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
63.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
| Synthesis and antimycobacterial activity of 3,5-disubstituted thiadiazine thiones. | Bioorganic & medicinal chemistry 20031001 |
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