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15798-67-1 | 2H-1,3,5-Thiadiazine-2-thione, tetrahydro-3,5-bis(4-methylphenyl)-
CAS No: 15798-67-1 Catalog No: AG001PVE MDL No:
Product Description
Catalog Number:
AG001PVE
Chemical Name:
2H-1,3,5-Thiadiazine-2-thione, tetrahydro-3,5-bis(4-methylphenyl)-
CAS Number:
15798-67-1
Molecular Formula:
C17H18N2S2
Molecular Weight:
314.4682
IUPAC Name:
3,5-bis(4-methylphenyl)-1,3,5-thiadiazinane-2-thione
InChI:
InChI=1S/C17H18N2S2/c1-13-3-7-15(8-4-13)18-11-19(17(20)21-12-18)16-9-5-14(2)6-10-16/h3-10H,11-12H2,1-2H3
InChI Key:
KEOMSXFJCIKCNZ-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)N1CSC(=S)N(C1)c1ccc(cc1)C
NSC Number:
157368
Properties
Complexity:
358
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
314.091g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
314.465g/mol
Monoisotopic Mass:
314.091g/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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