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23515-23-3 | 2H-1,3,5-Thiadiazine-2-thione, 3-(3-chlorophenyl)-5-cyclohexyltetrahydro-
CAS No: 23515-23-3 Catalog No: AG002NJ2 MDL No:
Product Description
Catalog Number:
AG002NJ2
Chemical Name:
2H-1,3,5-Thiadiazine-2-thione, 3-(3-chlorophenyl)-5-cyclohexyltetrahydro-
CAS Number:
23515-23-3
Molecular Formula:
C15H19ClN2S2
Molecular Weight:
326.9078
IUPAC Name:
3-(3-chlorophenyl)-5-cyclohexyl-1,3,5-thiadiazinane-2-thione
InChI:
InChI=1S/C15H19ClN2S2/c16-12-5-4-8-14(9-12)18-10-17(11-20-15(18)19)13-6-2-1-3-7-13/h4-5,8-9,13H,1-3,6-7,10-11H2
InChI Key:
KZKBVROVYLUPHW-UHFFFAOYSA-N
SMILES:
Clc1cccc(c1)N1CN(CSC1=S)C1CCCCC1
Properties
Complexity:
347
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
326.068g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
326.901g/mol
Monoisotopic Mass:
326.068g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
63.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.3
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